PubChemLite - 1-(2-methoxy-13-methyl-tetradecanyl)-sn-glycero-3-phosphoserine (C22H46NO9P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C22H46NO9P/c1-18(2)12-10-8-6-4-5-7-9-11-13-20(29-3)16-30-14-19(24)15-31-33(27,28)32-17-21(23)22(25)26/h18-21,24H,4-17,23H2,1-3H3,(H,25,26)(H,27,28)/t19-,20?,21+/m1/s1

InChIKey

WXIBAJRNOKRURD-TYVLQRECSA-N

Compound name

(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-(2-methoxy-13-methyltetradecoxy)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]+	500.29830	220.0
[M+Na]+	522.28024	223.0
[M-H]-	498.28374	218.5
[M+NH4]+	517.32484	223.3
[M+K]+	538.25418	219.4
[M+H-H2O]+	482.28828	210.6
[M+HCOO]-	544.28922	217.1
[M+CH3COO]-	558.30487	239.9
[M+Na-2H]-	520.26569	204.8
[M]+	499.29047	214.6
[M]-	499.29157	214.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

500.29830

220.0

[M+Na]+

522.28024

223.0

[M-H]-

498.28374

218.5

[M+NH4]+

517.32484

223.3

[M+K]+

538.25418

219.4

[M+H-H2O]+

482.28828

210.6

[M+HCOO]-

544.28922

217.1

[M+CH3COO]-

558.30487

239.9

[M+Na-2H]-

520.26569

204.8

[M]+

499.29047

214.6

[M]-

499.29157

214.6

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

1-(2-methoxy-13-methyl-tetradecanyl)-sn-glycero-3-phosphoserine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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