PubChemLite - Pc(p-16:0/2:0) (C26H53NO7P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C26H52NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h19,21,26H,6-18,20,22-24H2,1-5H3/p+1/b21-19-/t26-/m1/s1

InChIKey

MULVVBYNDZRKPA-XCZWIQLXSA-O

Compound name

2-[[(2R)-2-acetyloxy-3-[(Z)-hexadec-1-enoxy]propoxy]-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]+	523.36324	232.9
[M+Na]+	545.34518	237.3
[M-H]-	521.34868	229.8
[M+NH4]+	540.38978	239.0
[M+K]+	561.31912	233.3
[M+H-H2O]+	505.35322	219.1
[M+HCOO]-	567.35416	246.3
[M+CH3COO]-	581.36981	242.8
[M+Na-2H]-	543.33063	217.8
[M]+	522.35541	230.6
[M]-	522.35651	230.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

523.36324

232.9

[M+Na]+

545.34518

237.3

[M-H]-

521.34868

229.8

[M+NH4]+

540.38978

239.0

[M+K]+

561.31912

233.3

[M+H-H2O]+

505.35322

219.1

[M+HCOO]-

567.35416

246.3

[M+CH3COO]-

581.36981

242.8

[M+Na-2H]-

543.33063

217.8

[M]+

522.35541

230.6

[M]-

522.35651

230.6

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

Pc(p-16:0/2:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe