PubChemLite - 1-(2-methoxy-5z-hexadecenyl)-sn-glycero-3-phosphoserine (C23H46NO9P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCC/C=C\CCC(COC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)O)OC

InChI

InChI=1S/C23H46NO9P/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/h12-13,20-22,25H,3-11,14-19,24H2,1-2H3,(H,26,27)(H,28,29)/b13-12-/t20-,21?,22+/m1/s1

InChIKey

LTLBGXGZOHFPSW-FDBZRYSYSA-N

Compound name

(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-2-methoxyhexadec-5-enoxy]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]+	512.29830	222.0
[M+Na]+	534.28024	224.9
[M-H]-	510.28374	219.5
[M+NH4]+	529.32484	224.0
[M+K]+	550.25418	220.6
[M+H-H2O]+	494.28828	212.0
[M+HCOO]-	556.28922	221.8
[M+CH3COO]-	570.30487	240.5
[M+Na-2H]-	532.26569	206.1
[M]+	511.29047	216.0
[M]-	511.29157	216.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

512.29830

222.0

[M+Na]+

534.28024

224.9

[M-H]-

510.28374

219.5

[M+NH4]+

529.32484

224.0

[M+K]+

550.25418

220.6

[M+H-H2O]+

494.28828

212.0

[M+HCOO]-

556.28922

221.8

[M+CH3COO]-

570.30487

240.5

[M+Na-2H]-

532.26569

206.1

[M]+

511.29047

216.0

[M]-

511.29157

216.0

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

1-(2-methoxy-5z-hexadecenyl)-sn-glycero-3-phosphoserine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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