PubChemLite - 1-eicosapentaenoyl-glycerol (C23H36O4)

Structural Information

Molecular Formula

SMILES

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO)O

InChI

InChI=1S/C23H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h3-4,6-7,9-10,12-13,15-16,22,24-25H,2,5,8,11,14,17-21H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-/t22-/m0/s1

InChIKey

DFRRSBYSSXKROX-GABUGCEHSA-N

Compound name

[(2S)-2,3-dihydroxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

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]+	377.26863	201.1
[M+Na]+	399.25057	205.8
[M+NH4]+	394.29517	198.7
[M+K]+	415.22451	200.3
[M-H]-	375.25407	191.0
[M+Na-2H]-	397.23602	197.3
[M]+	376.26080	199.4
[M]-	376.26190	199.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

377.26863

201.1

[M+Na]+

399.25057

205.8

[M+NH4]+

394.29517

198.7

[M+K]+

415.22451

200.3

[M-H]-

375.25407

191.0

[M+Na-2H]-

397.23602

197.3

[M]+

376.26080

199.4

[M]-

376.26190

199.4

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

1-eicosapentaenoyl-glycerol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe