PubChemLite - Lysophosphotidylserine (C21H44NO9P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C21H44NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(24)29-15-18(23)16-30-32(27,28)31-17-19(22)21(25)26/h18-20,23-24H,2-17,22H2,1H3,(H,25,26)(H,27,28)/t18-,19+,20-/m1/s1

InChIKey

RPZLJDFLPRHXGM-HSALFYBXSA-N

Compound name

(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-[(1R)-1-hydroxypentadecoxy]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]+	486.28264	215.7
[M+Na]+	508.26458	217.4
[M-H]-	484.26808	212.6
[M+NH4]+	503.30918	215.2
[M+K]+	524.23852	212.8
[M+H-H2O]+	468.27262	204.7
[M+HCOO]-	530.27356	213.8
[M+CH3COO]-	544.28921	234.2
[M+Na-2H]-	506.25003	199.5
[M]+	485.27481	208.7
[M]-	485.27591	208.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

486.28264

215.7

[M+Na]+

508.26458

217.4

[M-H]-

484.26808

212.6

[M+NH4]+

503.30918

215.2

[M+K]+

524.23852

212.8

[M+H-H2O]+

468.27262

204.7

[M+HCOO]-

530.27356

213.8

[M+CH3COO]-

544.28921

234.2

[M+Na-2H]-

506.25003

199.5

[M]+

485.27481

208.7

[M]-

485.27591

208.7

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

Lysophosphotidylserine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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