PubChemLite - 1-(2-methoxy-hexadecanyl)-sn-glycero-3-phosphoserine (C23H48NO9P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCC(COC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)O)OC

InChI

InChI=1S/C23H48NO9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21(30-2)18-31-16-20(25)17-32-34(28,29)33-19-22(24)23(26)27/h20-22,25H,3-19,24H2,1-2H3,(H,26,27)(H,28,29)/t20-,21?,22+/m1/s1

InChIKey

BIHKFDAWQKZWQX-QFMSAKRMSA-N

Compound name

(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-(2-methoxyhexadecoxy)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]+	514.31392	224.4
[M+Na]+	536.29586	226.7
[M-H]-	512.29936	221.1
[M+NH4]+	531.34046	226.1
[M+K]+	552.26980	222.9
[M+H-H2O]+	496.30390	214.3
[M+HCOO]-	558.30484	223.4
[M+CH3COO]-	572.32049	241.9
[M+Na-2H]-	534.28131	208.0
[M]+	513.30609	218.7
[M]-	513.30719	218.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

514.31392

224.4

[M+Na]+

536.29586

226.7

[M-H]-

512.29936

221.1

[M+NH4]+

531.34046

226.1

[M+K]+

552.26980

222.9

[M+H-H2O]+

496.30390

214.3

[M+HCOO]-

558.30484

223.4

[M+CH3COO]-

572.32049

241.9

[M+Na-2H]-

534.28131

208.0

[M]+

513.30609

218.7

[M]-

513.30719

218.7

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

1-(2-methoxy-hexadecanyl)-sn-glycero-3-phosphoserine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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