CID 21304904

2-(4-methylphenyl)cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C14H18O2
SMILES
CC1=CC=C(C=C1)C2CCCCC2C(=O)O
InChI
InChI=1S/C14H18O2/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14(15)16/h6-9,12-13H,2-5H2,1H3,(H,15,16)
InChIKey
RATGULGAYZCBBP-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

218.13068 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.137956 149.6
[M+Na]+ 241.119898 154.5
[M-H]- 217.123404 154.4
[M+NH4]+ 236.164503 167.2
[M+K]+ 257.093838 151.4
[M+H-H2O]+ 201.127940 143.0
[M+HCOO]- 263.128881 167.8
[M+CH3COO]- 277.144531 186.8
[M+Na-2H]- 239.105346 151.7
[M]+ 218.13013142 144.9
[M]- 218.13122858 144.9
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