CID 5312554

13z,16z-docosadienoic acid

Structural Information

Molecular Formula
C22H40O2
SMILES
CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=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/h6-7,9-10H,2-5,8,11-21H2,1H3,(H,23,24)/b7-6-,10-9-
InChIKey
HVGRZDASOHMCSK-HZJYTTRNSA-N
Compound name
(13Z,16Z)-docosa-13,16-dienoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

940
Patents

336.30283 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.310106 194.1
[M+Na]+ 359.292048 195.0
[M-H]- 335.295554 190.1
[M+NH4]+ 354.336653 207.2
[M+K]+ 375.265988 189.2
[M+H-H2O]+ 319.300090 187.0
[M+HCOO]- 381.301031 211.2
[M+CH3COO]- 395.316681 213.4
[M+Na-2H]- 357.277496 190.9
[M]+ 336.30228142 199.5
[M]- 336.30337858 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

literature stripe

Patent stripe

patents stripe