PubChemLite - 2-[1,3-bis[2-[(z)-11-hydroxyheptadec-8-enoxy]carbonyloxyethoxy]propan-2-yloxy]ethyl [(z)-11-hydroxyheptadec-8-enyl] carbonate (C63H116O15)

Structural Information

Molecular Formula

SMILES

CCCCCCC(O)C/C=C\CCCCCCCOC(=O)OCCOCC(OCCOC(=O)OCCCCCCC/C=C\CC(O)CCCCCC)COCCOC(=O)OCCCCCCC/C=C\CC(O)CCCCCC

InChI

InChI=1S/C63H116O15/c1-4-7-10-31-40-57(64)43-34-25-19-13-16-22-28-37-46-73-61(67)76-51-49-70-55-60(72-53-54-78-63(69)75-48-39-30-24-18-15-21-27-36-45-59(66)42-33-12-9-6-3)56-71-50-52-77-62(68)74-47-38-29-23-17-14-20-26-35-44-58(65)41-32-11-8-5-2/h25-27,34-36,57-60,64-66H,4-24,28-33,37-56H2,1-3H3/b34-25-,35-26-,36-27-

InChIKey

LXZHFNATOMRESM-AAKVHIHISA-N

Compound name

2-[1,3-bis[2-[(Z)-11-hydroxyheptadec-8-enoxy]carbonyloxyethoxy]propan-2-yloxy]ethyl [(Z)-11-hydroxyheptadec-8-enyl] carbonate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	1113.8387	367.9
[M+Na]+	1135.8206	365.3
[M-H]-	1111.8241	358.5
[M+NH4]+	1130.8652	380.2
[M+K]+	1151.7946	376.6
[M+H-H2O]+	1095.8287	366.9
[M+HCOO]-	1157.8296	349.2
[M+CH3COO]-	1171.8453	333.9
[M+Na-2H]-	1133.8061	340.0
[M]+	1112.8309	375.7
[M]-	1112.8319	375.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1113.8387

367.9

[M+Na]+

1135.8206

365.3

[M-H]-

1111.8241

358.5

[M+NH4]+

1130.8652

380.2

[M+K]+

1151.7946

376.6

[M+H-H2O]+

1095.8287

366.9

[M+HCOO]-

1157.8296

349.2

[M+CH3COO]-

1171.8453

333.9

[M+Na-2H]-

1133.8061

340.0

[M]+

1112.8309

375.7

[M]-

1112.8319

375.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2-[1,3-bis[2-[(z)-11-hydroxyheptadec-8-enoxy]carbonyloxyethoxy]propan-2-yloxy]ethyl [(z)-11-hydroxyheptadec-8-enyl] carbonate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe