PubChemLite - 1-(2-methoxy-tetradecanyl)-sn-glycero-3-phosphoserine (C21H44NO9P)

Structural Information

Molecular Formula

SMILES

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

InChI

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

InChIKey

IIMDTAKPHKFRFY-ITIDOPETSA-N

Compound name

(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-(2-methoxytetradecoxy)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	217.3
[M+Na]+	508.26458	220.0
[M-H]-	484.26808	214.7
[M+NH4]+	503.30918	219.1
[M+K]+	524.23852	215.3
[M+H-H2O]+	468.27262	207.4
[M+HCOO]-	530.27356	217.1
[M+CH3COO]-	544.28921	236.2
[M+Na-2H]-	506.25003	201.8
[M]+	485.27481	211.5
[M]-	485.27591	211.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

486.28264

217.3

[M+Na]+

508.26458

220.0

[M-H]-

484.26808

214.7

[M+NH4]+

503.30918

219.1

[M+K]+

524.23852

215.3

[M+H-H2O]+

468.27262

207.4

[M+HCOO]-

530.27356

217.1

[M+CH3COO]-

544.28921

236.2

[M+Na-2H]-

506.25003

201.8

[M]+

485.27481

211.5

[M]-

485.27591

211.5

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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