PubChemLite - Pc(monome(11,5)/monome(11,3)) (C48H85NO10P)

Structural Information

Molecular Formula

SMILES

CCCCCC1=CC(=C(O1)CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C=C(O2)CCC)C)C

InChI

InChI=1S/C48H84NO10P/c1-8-10-23-29-43-37-41(4)46(58-43)31-25-20-15-11-13-17-21-26-32-47(50)54-38-44(39-56-60(52,53)55-35-34-49(5,6)7)59-48(51)33-27-22-18-14-12-16-19-24-30-45-40(3)36-42(57-45)28-9-2/h36-37,44H,8-35,38-39H2,1-7H3/p+1

InChIKey

KFEQEAFSKLRVBM-UHFFFAOYSA-O

Compound name

2-[hydroxy-[3-[11-(3-methyl-5-pentylfuran-2-yl)undecanoyloxy]-2-[11-(3-methyl-5-propylfuran-2-yl)undecanoyloxy]propoxy]phosphoryl]oxyethyl-trimethylazanium

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]+	867.59838	289.9
[M+Na]+	889.58032	300.4
[M-H]-	865.58382	289.2
[M+NH4]+	884.62492	303.9
[M+K]+	905.55426	298.0
[M+H-H2O]+	849.58836	282.8
[M+HCOO]-	911.58930	308.4
[M+CH3COO]-	925.60495	305.3
[M+Na-2H]-	887.56577	270.1
[M]+	866.59055	293.5
[M]-	866.59165	293.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

867.59838

289.9

[M+Na]+

889.58032

300.4

[M-H]-

865.58382

289.2

[M+NH4]+

884.62492

303.9

[M+K]+

905.55426

298.0

[M+H-H2O]+

849.58836

282.8

[M+HCOO]-

911.58930

308.4

[M+CH3COO]-

925.60495

305.3

[M+Na-2H]-

887.56577

270.1

[M]+

866.59055

293.5

[M]-

866.59165

293.5

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

Pc(monome(11,5)/monome(11,3))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe