PubChemLite - Lysope(p-18:1(9z)/0:0) (C23H46NO6P)

Structural Information

Molecular Formula

SMILES

CCCCCCCC/C=C\CCCCCC/C=C\OC[C@H](COP(=O)(O)OCCN)O

InChI

InChI=1S/C23H46NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-21-23(25)22-30-31(26,27)29-20-18-24/h9-10,17,19,23,25H,2-8,11-16,18,20-22,24H2,1H3,(H,26,27)/b10-9-,19-17-/t23-/m1/s1

InChIKey

URGVIWXYPWWBQO-UWEYSURVSA-N

Compound name

2-aminoethyl [(2R)-2-hydroxy-3-[(1Z,9Z)-octadeca-1,9-dienoxy]propyl] hydrogen phosphate

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]+	464.31355	216.0
[M+Na]+	486.29549	220.2
[M-H]-	462.29899	207.8
[M+NH4]+	481.34009	213.6
[M+K]+	502.26943	214.4
[M+H-H2O]+	446.30353	205.2
[M+HCOO]-	508.30447	225.0
[M+CH3COO]-	522.32012	233.6
[M+Na-2H]-	484.28094	200.3
[M]+	463.30572	209.8
[M]-	463.30682	209.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

464.31355

216.0

[M+Na]+

486.29549

220.2

[M-H]-

462.29899

207.8

[M+NH4]+

481.34009

213.6

[M+K]+

502.26943

214.4

[M+H-H2O]+

446.30353

205.2

[M+HCOO]-

508.30447

225.0

[M+CH3COO]-

522.32012

233.6

[M+Na-2H]-

484.28094

200.3

[M]+

463.30572

209.8

[M]-

463.30682

209.8

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

Lysope(p-18:1(9z)/0:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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