PubChemLite - Pa(16:1(9z)/15:0) (C34H65O8P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)O

InChI

InChI=1S/C34H65O8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(35)40-30-32(31-41-43(37,38)39)42-34(36)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h13,15,32H,3-12,14,16-31H2,1-2H3,(H2,37,38,39)/b15-13-/t32-/m1/s1

InChIKey

PZJMXCKMQSVXAG-RGOCUGCRSA-N

Compound name

[(2R)-2-pentadecanoyloxy-3-phosphonooxypropyl] (Z)-hexadec-9-enoate

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]+	633.44898	255.8
[M+Na]+	655.43092	257.8
[M-H]-	631.43442	246.7
[M+NH4]+	650.47552	260.0
[M+K]+	671.40486	258.2
[M+H-H2O]+	615.43896	246.7
[M+HCOO]-	677.43990	259.1
[M+CH3COO]-	691.45555	263.8
[M+Na-2H]-	653.41637	236.7
[M]+	632.44115	253.9
[M]-	632.44225	253.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

633.44898

255.8

[M+Na]+

655.43092

257.8

[M-H]-

631.43442

246.7

[M+NH4]+

650.47552

260.0

[M+K]+

671.40486

258.2

[M+H-H2O]+

615.43896

246.7

[M+HCOO]-

677.43990

259.1

[M+CH3COO]-

691.45555

263.8

[M+Na-2H]-

653.41637

236.7

[M]+

632.44115

253.9

[M]-

632.44225

253.9

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

Pa(16:1(9z)/15:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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