Arachidonic acid (C20H32O2)

Structural Information

Molecular Formula

SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O

InChI

InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-

InChIKey

YZXBAPSDXZZRGB-DOFZRALJSA-N

Compound name

(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid

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]+	305.247506	182.2
[M+Na]+	327.229448	184.8
[M-H]-	303.232954	178.8
[M+NH4]+	322.274053	196.7
[M+K]+	343.203388	178.3
[M+H-H2O]+	287.237490	175.8
[M+HCOO]-	349.238431	200.5
[M+CH3COO]-	363.254081	204.5
[M+Na-2H]-	325.214896	180.3
[M]+	304.23968142	185.3
[M]-	304.24077858	185.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

305.247506

182.2

[M+Na]+

327.229448

184.8

[M-H]-

303.232954

178.8

[M+NH4]+

322.274053

196.7

[M+K]+

343.203388

178.3

[M+H-H2O]+

287.237490

175.8

[M+HCOO]-

349.238431

200.5

[M+CH3COO]-

363.254081

204.5

[M+Na-2H]-

325.214896

180.3

[M]+

304.23968142

185.3

[M]-

304.24077858

185.3

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

Arachidonic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe