CID 171118563

2,4-dimethyl-2e,4e-octadienoic acid

Structural Information

Molecular Formula
C10H16O2
SMILES
CCC/C=C(\C)/C=C(\C)/C(=O)O
InChI
InChI=1S/C10H16O2/c1-4-5-6-8(2)7-9(3)10(11)12/h6-7H,4-5H2,1-3H3,(H,11,12)/b8-6+,9-7+
InChIKey
GUYNSLHNVNTZOM-CDJQDVQCSA-N
Compound name
(2E,4E)-2,4-dimethylocta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 140.3
[M+Na]+ 191.104258 145.9
[M-H]- 167.107764 138.9
[M+NH4]+ 186.148863 160.2
[M+K]+ 207.078198 144.2
[M+H-H2O]+ 151.112300 135.8
[M+HCOO]- 213.113241 159.5
[M+CH3COO]- 227.128891 179.0
[M+Na-2H]- 189.089706 141.1
[M]+ 168.11449142 139.9
[M]- 168.11558858 139.9
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.