PubChemLite - Pa(20:1(11z)/20:0) (C43H83O8P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)O

InChI

InChI=1S/C43H83O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(44)49-39-41(40-50-52(46,47)48)51-43(45)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,41H,3-16,18,20-40H2,1-2H3,(H2,46,47,48)/b19-17-/t41-/m1/s1

InChIKey

BEMWYSXNOFBJKZ-HVLKLTLRSA-N

Compound name

[(2R)-1-[(Z)-icos-11-enoyl]oxy-3-phosphonooxypropan-2-yl] icosanoate

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]+	759.58988	285.6
[M+Na]+	781.57182	286.0
[M-H]-	757.57532	273.1
[M+NH4]+	776.61642	289.7
[M+K]+	797.54576	290.2
[M+H-H2O]+	741.57986	275.5
[M+HCOO]-	803.58080	285.4
[M+CH3COO]-	817.59645	288.0
[M+Na-2H]-	779.55727	262.8
[M]+	758.58205	284.3
[M]-	758.58315	284.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

759.58988

285.6

[M+Na]+

781.57182

286.0

[M-H]-

757.57532

273.1

[M+NH4]+

776.61642

289.7

[M+K]+

797.54576

290.2

[M+H-H2O]+

741.57986

275.5

[M+HCOO]-

803.58080

285.4

[M+CH3COO]-

817.59645

288.0

[M+Na-2H]-

779.55727

262.8

[M]+

758.58205

284.3

[M]-

758.58315

284.3

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

Pa(20:1(11z)/20:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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