CID 5312331

7,7-dimethyl-(5z,8z)-eicosadienoic acid

Structural Information

Molecular Formula
C22H40O2
SMILES
CCCCCCCCCCC/C=C\C(C)(C)/C=C\CCCC(=O)O
InChI
InChI=1S/C22H40O2/c1-4-5-6-7-8-9-10-11-12-13-16-19-22(2,3)20-17-14-15-18-21(23)24/h16-17,19-20H,4-15,18H2,1-3H3,(H,23,24)/b19-16-,20-17-
InChIKey
AGKRHAILCPYNFH-DUQSFWPASA-N
Compound name
(5Z,8Z)-7,7-dimethylicosa-5,8-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

39
References

459
Patents

336.30283 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.31011 194.0
[M+Na]+ 359.29205 195.5
[M-H]- 335.29555 190.4
[M+NH4]+ 354.33665 207.3
[M+K]+ 375.26599 190.2
[M+H-H2O]+ 319.30009 187.7
[M+HCOO]- 381.30103 209.6
[M+CH3COO]- 395.31668 213.7
[M+Na-2H]- 357.27750 191.7
[M]+ 336.30228 199.0
[M]- 336.30338 199.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe