CID 96206

2-cyclohexylideneacetic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CCC(=CC(=O)O)CC1
InChI
InChI=1S/C8H12O2/c9-8(10)6-7-4-2-1-3-5-7/h6H,1-5H2,(H,9,10)
InChIKey
UKYISVNNIPKTNG-UHFFFAOYSA-N
Compound name
2-cyclohexylideneacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

138
Patents

140.08372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 130.9
[M+Na]+ 163.07294 140.6
[M+NH4]+ 158.11754 138.9
[M+K]+ 179.04688 135.2
[M-H]- 139.07644 131.5
[M+Na-2H]- 161.05839 135.0
[M]+ 140.08317 132.1
[M]- 140.08427 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe