PubChemLite - Povpc (C29H57NO9P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCC=O

InChI

InChI=1S/C29H56NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28(32)36-25-27(39-29(33)21-18-19-23-31)26-38-40(34,35)37-24-22-30(2,3)4/h23,27H,5-22,24-26H2,1-4H3/p+1/t27-/m1/s1

InChIKey

RKIDALSACBQVTN-HHHXNRCGSA-O

Compound name

2-[[(2R)-3-hexadecanoyloxy-2-(5-oxopentanoyloxy)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]+	595.38438	245.2
[M+Na]+	617.36632	249.8
[M+NH4]+	612.41092	223.5
[M+K]+	633.34026	256.4
[M-H]-	593.36982	240.7
[M+Na-2H]-	615.35177	237.3
[M]+	594.37655	246.5
[M]-	594.37765	246.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

595.38438

245.2

[M+Na]+

617.36632

249.8

[M+NH4]+

612.41092

223.5

[M+K]+

633.34026

256.4

[M-H]-

593.36982

240.7

[M+Na-2H]-

615.35177

237.3

[M]+

594.37655

246.5

[M]-

594.37765

246.5

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

Povpc

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe