CID 5312316

19-methyl-5e,9e-eicosadienoic acid

Structural Information

Molecular Formula

C₂₁H₃₈O₂

SMILES

CC(C)CCCCCCCC/C=C/CC/C=C/CCCC(=O)O

InChI

InChI=1S/C21H38O2/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21(22)23/h3,5,11,13,20H,4,6-10,12,14-19H2,1-2H3,(H,22,23)/b5-3+,13-11+

InChIKey

UZWGJGWPRAVRBC-SDGZKQAHSA-N

Compound name

(5E,9E)-19-methylicosa-5,9-dienoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 322.28717 Da
Monoisotopic Mass: 7.7
XlogP (predicted)

Profile

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]+	323.29445	190.4
[M+Na]+	345.27639	191.6
[M-H]-	321.27989	186.8
[M+NH4]+	340.32099	204.1
[M+K]+	361.25033	186.6
[M+H-H2O]+	305.28443	183.7
[M+HCOO]-	367.28537	206.9
[M+CH3COO]-	381.30102	211.2
[M+Na-2H]-	343.26184	186.5
[M]+	322.28662	194.8
[M]-	322.28772	194.8

Literature stripe

literature stripe

Patent stripe

patents stripe