CID 5312552

19z-docosenoic acid

Structural Information

Molecular Formula
C22H42O2
SMILES
CC/C=C\CCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4H,2,5-21H2,1H3,(H,23,24)/b4-3-
InChIKey
ZGJQAPUAARZOCF-ARJAWSKDSA-N
Compound name
(Z)-docos-19-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.31848 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.32576 195.6
[M+Na]+ 361.30770 196.1
[M-H]- 337.31120 191.5
[M+NH4]+ 356.35230 208.6
[M+K]+ 377.28164 191.0
[M+H-H2O]+ 321.31574 188.3
[M+HCOO]- 383.31668 212.4
[M+CH3COO]- 397.33233 214.9
[M+Na-2H]- 359.29315 192.4
[M]+ 338.31793 201.8
[M]- 338.31903 201.8
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.