PubChemLite - 2-oleoyl-sn-glycero-3-phosphoserine(1-) (C24H46NO9P)

Structural Information

Molecular Formula

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OC[C@@H](C(=O)O)N

InChI

InChI=1S/C24H46NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)34-21(18-26)19-32-35(30,31)33-20-22(25)24(28)29/h9-10,21-22,26H,2-8,11-20,25H2,1H3,(H,28,29)(H,30,31)/b10-9-/t21-,22+/m1/s1

InChIKey

QQHKVAJCQFQGMF-YFKVPUFHSA-N

Compound name

(2S)-2-amino-3-[hydroxy-[(2R)-3-hydroxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid

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]+	524.29828	223.1
[M+Na]+	546.28022	227.6
[M+NH4]+	541.32482	228.4
[M+K]+	562.25416	225.5
[M-H]-	522.28372	220.7
[M+Na-2H]-	544.26567	228.2
[M]+	523.29045	223.3
[M]-	523.29155	223.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

524.29828

223.1

[M+Na]+

546.28022

227.6

[M+NH4]+

541.32482

228.4

[M+K]+

562.25416

225.5

[M-H]-

522.28372

220.7

[M+Na-2H]-

544.26567

228.2

[M]+

523.29045

223.3

[M]-

523.29155

223.3

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

2-oleoyl-sn-glycero-3-phosphoserine(1-)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe