CID 5312389

7z,9e-dodecadienoic acid

Structural Information

Molecular Formula
C12H20O2
SMILES
CC/C=C/C=C\CCCCCC(=O)O
InChI
InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h3-6H,2,7-11H2,1H3,(H,13,14)/b4-3+,6-5-
InChIKey
DAOYHEHYLCLGOY-ICWBMWKASA-N
Compound name
(7Z,9E)-dodeca-7,9-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

196.14633 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 149.3
[M+Na]+ 219.13555 154.4
[M-H]- 195.13905 147.3
[M+NH4]+ 214.18015 168.1
[M+K]+ 235.10949 151.3
[M+H-H2O]+ 179.14359 144.2
[M+HCOO]- 241.14453 169.8
[M+CH3COO]- 255.16018 183.4
[M+Na-2H]- 217.12100 151.5
[M]+ 196.14578 150.9
[M]- 196.14688 150.9
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