PubChemLite - Lysope(0:0/18:2(9z,12z)) (C23H44NO7P)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN

InChI

InChI=1S/C23H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h6-7,9-10,22,25H,2-5,8,11-21,24H2,1H3,(H,27,28)/b7-6-,10-9-/t22-/m1/s1

InChIKey

SVRBKLJIDJHADS-USWSLJGRSA-N

Compound name

[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate

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]+	478.29283	216.1
[M+Na]+	500.27477	220.9
[M-H]-	476.27827	210.8
[M+NH4]+	495.31937	216.3
[M+K]+	516.24871	215.0
[M+H-H2O]+	460.28281	206.0
[M+HCOO]-	522.28375	223.5
[M+CH3COO]-	536.29940	234.9
[M+Na-2H]-	498.26022	201.1
[M]+	477.28500	210.1
[M]-	477.28610	210.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

478.29283

216.1

[M+Na]+

500.27477

220.9

[M-H]-

476.27827

210.8

[M+NH4]+

495.31937

216.3

[M+K]+

516.24871

215.0

[M+H-H2O]+

460.28281

206.0

[M+HCOO]-

522.28375

223.5

[M+CH3COO]-

536.29940

234.9

[M+Na-2H]-

498.26022

201.1

[M]+

477.28500

210.1

[M]-

477.28610

210.1

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

Lysope(0:0/18:2(9z,12z))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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