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

151
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 130.0
[M+Na]+ 163.07294 134.6
[M-H]- 139.07644 131.4
[M+NH4]+ 158.11754 150.4
[M+K]+ 179.04688 133.0
[M+H-H2O]+ 123.08098 124.9
[M+HCOO]- 185.08192 148.8
[M+CH3COO]- 199.09757 169.2
[M+Na-2H]- 161.05839 134.0
[M]+ 140.08317 124.1
[M]- 140.08427 124.1
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.