PubChemLite - 22252-07-9 (C26H51NO7P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/p+1/b10-9-,13-12-/t25-/m1/s1

InChIKey

SPJFYYJXNPEZDW-FTJOPAKQSA-O

Compound name

2-[hydroxy-[(2R)-2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]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]+	521.34761	230.0
[M+Na]+	543.32955	234.8
[M+NH4]+	538.37415	202.6
[M+K]+	559.30349	241.8
[M-H]-	519.33305	225.1
[M+Na-2H]-	541.31500	223.1
[M]+	520.33978	231.2
[M]-	520.34088	231.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

521.34761

230.0

[M+Na]+

543.32955

234.8

[M+NH4]+

538.37415

202.6

[M+K]+

559.30349

241.8

[M-H]-

519.33305

225.1

[M+Na-2H]-

541.31500

223.1

[M]+

520.33978

231.2

[M]-

520.34088

231.2

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

22252-07-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe