CID 5312383

(2e,6z)-dodeca-2,6-dienoic acid

Structural Information

Molecular Formula
C12H20O2
SMILES
CCCCC/C=C\CC/C=C/C(=O)O
InChI
InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h6-7,10-11H,2-5,8-9H2,1H3,(H,13,14)/b7-6-,11-10+
InChIKey
RFHKVLKBWQIQDY-JFEAUALZSA-N
Compound name
(2E,6Z)-dodeca-2,6-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

196.14633 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.153606 149.3
[M+Na]+ 219.135548 154.4
[M-H]- 195.139054 147.3
[M+NH4]+ 214.180153 168.1
[M+K]+ 235.109488 151.3
[M+H-H2O]+ 179.143590 144.2
[M+HCOO]- 241.144531 169.8
[M+CH3COO]- 255.160181 183.4
[M+Na-2H]- 217.120996 151.5
[M]+ 196.14578142 150.9
[M]- 196.14687858 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

patents stripe