PubChemLite - Pc(8:2(2e,4e)/8:2(2e,4e)) (C24H41NO8P)

Structural Information

Molecular Formula

SMILES

CCC/C=C/C=C/C(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)/C=C/C=C/CCC

InChI

InChI=1S/C24H40NO8P/c1-6-8-10-12-14-16-23(26)30-20-22(33-24(27)17-15-13-11-9-7-2)21-32-34(28,29)31-19-18-25(3,4)5/h10-17,22H,6-9,18-21H2,1-5H3/p+1/b12-10+,13-11+,16-14+,17-15+/t22-/m1/s1

InChIKey

UCNFOTFQFNWWMI-LYOLDJLYSA-O

Compound name

2-[[(2R)-2,3-bis[[(2E,4E)-octa-2,4-dienoyl]oxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

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]+	503.26428	219.4
[M+Na]+	525.24622	226.6
[M-H]-	501.24972	222.5
[M+NH4]+	520.29082	229.3
[M+K]+	541.22016	220.3
[M+H-H2O]+	485.25426	206.8
[M+HCOO]-	547.25520	234.4
[M+CH3COO]-	561.27085	232.9
[M+Na-2H]-	523.23167	207.6
[M]+	502.25645	216.9
[M]-	502.25755	217.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

503.26428

219.4

[M+Na]+

525.24622

226.6

[M-H]-

501.24972

222.5

[M+NH4]+

520.29082

229.3

[M+K]+

541.22016

220.3

[M+H-H2O]+

485.25426

206.8

[M+HCOO]-

547.25520

234.4

[M+CH3COO]-

561.27085

232.9

[M+Na-2H]-

523.23167

207.6

[M]+

502.25645

216.9

[M]-

502.25755

217.0

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

Pc(8:2(2e,4e)/8:2(2e,4e))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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