CID 102207186

(3e,5z)-dodecadienoate

Structural Information

Molecular Formula
C12H20O2
SMILES
CCCCCC/C=C/C=C\CC(=O)O
InChI
InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h7-10H,2-6,11H2,1H3,(H,13,14)/b8-7+,10-9-
InChIKey
HXIKQPSPGQKVNW-GOJKSUSPSA-N
Compound name
(3Z,5E)-dodeca-3,5-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.14633 Da
Monoisotopic Mass

4.0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.