PubChemLite - 17:1 lyso pc (C25H51NO7P)

Structural Information

Molecular Formula

SMILES

CCCCCC/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O

InChI

InChI=1S/C25H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26(2,3)4/h10-11,24,27H,5-9,12-23H2,1-4H3/p+1/b11-10-/t24-/m1/s1

InChIKey

XBGIMYLOTRDXPK-AGXIJRPPSA-O

Compound name

2-[[(2R)-3-[(Z)-heptadec-10-enoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]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]+	509.34758	227.5
[M+Na]+	531.32952	231.0
[M-H]-	507.33302	224.3
[M+NH4]+	526.37412	231.3
[M+K]+	547.30346	226.6
[M+H-H2O]+	491.33756	212.6
[M+HCOO]-	553.33850	239.6
[M+CH3COO]-	567.35415	237.5
[M+Na-2H]-	529.31497	212.1
[M]+	508.33975	223.9
[M]-	508.34085	223.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

509.34758

227.5

[M+Na]+

531.32952

231.0

[M-H]-

507.33302

224.3

[M+NH4]+

526.37412

231.3

[M+K]+

547.30346

226.6

[M+H-H2O]+

491.33756

212.6

[M+HCOO]-

553.33850

239.6

[M+CH3COO]-

567.35415

237.5

[M+Na-2H]-

529.31497

212.1

[M]+

508.33975

223.9

[M]-

508.34085

223.9

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

17:1 lyso pc

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe