CID 21363

Cyclohexylacetic acid

Structural Information

Molecular Formula
C8H14O2
SMILES
C1CCC(CC1)CC(=O)O
InChI
InChI=1S/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)
InChIKey
LJOODBDWMQKMFB-UHFFFAOYSA-N
Compound name
2-cyclohexylacetic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

15
References

8279
Patents

142.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 131.3
[M+Na]+ 165.08860 141.0
[M+NH4]+ 160.13320 139.7
[M+K]+ 181.06254 135.7
[M-H]- 141.09210 132.3
[M+Na-2H]- 163.07405 135.6
[M]+ 142.09883 132.6
[M]- 142.09993 132.6
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