PubChemLite - 1-(2-methoxy-nonadecanyl)-sn-glycero-3-phosphoserine (C26H54NO9P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C26H54NO9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(33-2)21-34-19-23(28)20-35-37(31,32)36-22-25(27)26(29)30/h23-25,28H,3-22,27H2,1-2H3,(H,29,30)(H,31,32)/t23-,24?,25+/m1/s1

InChIKey

PMNIPCXKCBLOJO-PPCJQXESSA-N

Compound name

(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-(2-methoxynonadecoxy)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]+	556.36092	235.0
[M+Na]+	578.34286	236.7
[M-H]-	554.34636	230.4
[M+NH4]+	573.38746	236.6
[M+K]+	594.31680	234.1
[M+H-H2O]+	538.35090	224.5
[M+HCOO]-	600.35184	232.7
[M+CH3COO]-	614.36749	250.3
[M+Na-2H]-	576.32831	217.2
[M]+	555.35309	229.2
[M]-	555.35419	229.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

556.36092

235.0

[M+Na]+

578.34286

236.7

[M-H]-

554.34636

230.4

[M+NH4]+

573.38746

236.6

[M+K]+

594.31680

234.1

[M+H-H2O]+

538.35090

224.5

[M+HCOO]-

600.35184

232.7

[M+CH3COO]-

614.36749

250.3

[M+Na-2H]-

576.32831

217.2

[M]+

555.35309

229.2

[M]-

555.35419

229.2

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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