PubChemLite - 1-(2-methoxy-6z-heptadecenyl)-sn-glycero-3-phosphoserine (C24H48NO9P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCC/C=C\CCCC(COC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)O)OC

InChI

InChI=1S/C24H48NO9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(31-2)19-32-17-21(26)18-33-35(29,30)34-20-23(25)24(27)28/h12-13,21-23,26H,3-11,14-20,25H2,1-2H3,(H,27,28)(H,29,30)/b13-12-/t21-,22?,23+/m1/s1

InChIKey

VRCJKDPTMPAFIX-PFIUAXAOSA-N

Compound name

(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-2-methoxyheptadec-6-enoxy]propoxy]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]+	526.31392	225.5
[M+Na]+	548.29586	228.3
[M-H]-	524.29936	222.6
[M+NH4]+	543.34046	227.5
[M+K]+	564.26980	224.4
[M+H-H2O]+	508.30390	215.4
[M+HCOO]-	570.30484	224.9
[M+CH3COO]-	584.32049	243.3
[M+Na-2H]-	546.28131	209.2
[M]+	525.30609	219.6
[M]-	525.30719	219.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

526.31392

225.5

[M+Na]+

548.29586

228.3

[M-H]-

524.29936

222.6

[M+NH4]+

543.34046

227.5

[M+K]+

564.26980

224.4

[M+H-H2O]+

508.30390

215.4

[M+HCOO]-

570.30484

224.9

[M+CH3COO]-

584.32049

243.3

[M+Na-2H]-

546.28131

209.2

[M]+

525.30609

219.6

[M]-

525.30719

219.6

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

1-(2-methoxy-6z-heptadecenyl)-sn-glycero-3-phosphoserine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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