CID 5312332

7,7-dimethyl-5z,8z,11z-eicosatrienoic acid

Structural Information

Molecular Formula
C22H38O2
SMILES
CCCCCCCC/C=C\C/C=C\C(C)(C)/C=C\CCCC(=O)O
InChI
InChI=1S/C22H38O2/c1-4-5-6-7-8-9-10-11-12-13-16-19-22(2,3)20-17-14-15-18-21(23)24/h11-12,16-17,19-20H,4-10,13-15,18H2,1-3H3,(H,23,24)/b12-11-,19-16-,20-17-
InChIKey
RGQNMNYABSHTAV-WLNGKNCPSA-N
Compound name
(5Z,8Z,11Z)-7,7-dimethylicosa-5,8,11-trienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.28717 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.294446 192.4
[M+Na]+ 357.276388 194.3
[M-H]- 333.279894 188.9
[M+NH4]+ 352.320993 205.8
[M+K]+ 373.250328 188.4
[M+H-H2O]+ 317.284430 186.3
[M+HCOO]- 379.285371 208.3
[M+CH3COO]- 393.301021 212.2
[M+Na-2H]- 355.261836 190.2
[M]+ 334.28662142 196.7
[M]- 334.28771858 196.7
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

No patent data available for this compound.