CID 55107256

1-[(3-methylphenyl)methyl]cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C15H20O2
SMILES
CC1=CC(=CC=C1)CC2(CCCCC2)C(=O)O
InChI
InChI=1S/C15H20O2/c1-12-6-5-7-13(10-12)11-15(14(16)17)8-3-2-4-9-15/h5-7,10H,2-4,8-9,11H2,1H3,(H,16,17)
InChIKey
GUSVKPMHALMSRT-UHFFFAOYSA-N
Compound name
1-[(3-methylphenyl)methyl]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.14633 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 155.1
[M+Na]+ 255.13555 159.6
[M-H]- 231.13905 159.6
[M+NH4]+ 250.18015 173.8
[M+K]+ 271.10949 156.5
[M+H-H2O]+ 215.14359 148.7
[M+HCOO]- 277.14453 173.0
[M+CH3COO]- 291.16018 188.2
[M+Na-2H]- 253.12100 158.3
[M]+ 232.14578 150.6
[M]- 232.14688 150.6
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.