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]+ 219.13796 149.6
[M+Na]+ 241.11990 154.5
[M-H]- 217.12340 154.4
[M+NH4]+ 236.16450 167.2
[M+K]+ 257.09384 151.4
[M+H-H2O]+ 201.12794 143.0
[M+HCOO]- 263.12888 167.8
[M+CH3COO]- 277.14453 186.8
[M+Na-2H]- 239.10535 151.7
[M]+ 218.13013 144.9
[M]- 218.13123 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