CID 131840335

8z,11z-docosadienoic acid

Structural Information

Molecular Formula
C22H40O2
SMILES
CCCCCCCCCC/C=C\C/C=C\CCCCCCC(=O)O
InChI
InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h11-12,14-15H,2-10,13,16-21H2,1H3,(H,23,24)/b12-11-,15-14-
InChIKey
PGBBVTIDZHILRS-HDXUUTQWSA-N
Compound name
(8Z,11Z)-docosa-8,11-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.30283 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.31011 194.1
[M+Na]+ 359.29205 195.0
[M-H]- 335.29555 190.1
[M+NH4]+ 354.33665 207.2
[M+K]+ 375.26599 189.2
[M+H-H2O]+ 319.30009 187.0
[M+HCOO]- 381.30103 211.2
[M+CH3COO]- 395.31668 213.4
[M+Na-2H]- 357.27750 190.9
[M]+ 336.30228 199.5
[M]- 336.30338 199.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.