CID 12306901

(2e)-7-methylocta-2,6-dienoic acid

Structural Information

Molecular Formula
C9H14O2
SMILES
CC(=CCC/C=C/C(=O)O)C
InChI
InChI=1S/C9H14O2/c1-8(2)6-4-3-5-7-9(10)11/h5-7H,3-4H2,1-2H3,(H,10,11)/b7-5+
InChIKey
CEADFUVWXALSFV-FNORWQNLSA-N
Compound name
(2E)-7-methylocta-2,6-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

154.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 135.7
[M+Na]+ 177.088598 141.9
[M-H]- 153.092104 134.4
[M+NH4]+ 172.133203 156.2
[M+K]+ 193.062538 140.0
[M+H-H2O]+ 137.096640 131.3
[M+HCOO]- 199.097581 156.2
[M+CH3COO]- 213.113231 175.1
[M+Na-2H]- 175.074046 138.3
[M]+ 154.09883142 135.6
[M]- 154.09992858 135.6
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