PubChemLite - Pa(15:0/14:1(9z)) (C32H61O8P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCC

InChI

InChI=1S/C32H61O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-31(33)38-28-30(29-39-41(35,36)37)40-32(34)27-25-23-21-19-16-14-12-10-8-6-4-2/h10,12,30H,3-9,11,13-29H2,1-2H3,(H2,35,36,37)/b12-10-/t30-/m1/s1

InChIKey

GNNABYLYJOBOID-SPMUYJKHSA-N

Compound name

[(2R)-3-phosphonooxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] pentadecanoate

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]+	605.41768	249.0
[M+Na]+	627.39962	251.3
[M-H]-	603.40312	240.7
[M+NH4]+	622.44422	253.2
[M+K]+	643.37356	250.9
[M+H-H2O]+	587.40766	240.0
[M+HCOO]-	649.40860	253.1
[M+CH3COO]-	663.42425	258.3
[M+Na-2H]-	625.38507	230.7
[M]+	604.40985	246.9
[M]-	604.41095	246.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

605.41768

249.0

[M+Na]+

627.39962

251.3

[M-H]-

603.40312

240.7

[M+NH4]+

622.44422

253.2

[M+K]+

643.37356

250.9

[M+H-H2O]+

587.40766

240.0

[M+HCOO]-

649.40860

253.1

[M+CH3COO]-

663.42425

258.3

[M+Na-2H]-

625.38507

230.7

[M]+

604.40985

246.9

[M]-

604.41095

246.9

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

Pa(15:0/14:1(9z))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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