CID 86046

16646-42-7

Structural Information

Molecular Formula
C8H12O2
SMILES
CC1(CCC=CC1)C(=O)O
InChI
InChI=1S/C8H12O2/c1-8(7(9)10)5-3-2-4-6-8/h2-3H,4-6H2,1H3,(H,9,10)
InChIKey
FKOPGCJIAFSDAO-UHFFFAOYSA-N
Compound name
1-methylcyclohex-3-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

273
Patents

140.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 129.9
[M+Na]+ 163.07294 140.6
[M+NH4]+ 158.11754 139.8
[M+K]+ 179.04688 133.5
[M-H]- 139.07644 131.0
[M+Na-2H]- 161.05839 136.7
[M]+ 140.08317 131.7
[M]- 140.08427 131.7
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