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

6
Patents

154.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 135.7
[M+Na]+ 177.08860 141.9
[M-H]- 153.09210 134.4
[M+NH4]+ 172.13320 156.2
[M+K]+ 193.06254 140.0
[M+H-H2O]+ 137.09664 131.3
[M+HCOO]- 199.09758 156.2
[M+CH3COO]- 213.11323 175.1
[M+Na-2H]- 175.07405 138.3
[M]+ 154.09883 135.6
[M]- 154.09993 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