CID 81021576

4,4-dimethyl-2-phenylcyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C15H20O2
SMILES
CC1(CCC(C(C1)C2=CC=CC=C2)C(=O)O)C
InChI
InChI=1S/C15H20O2/c1-15(2)9-8-12(14(16)17)13(10-15)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3,(H,16,17)
InChIKey
CNJNOTDRZQGNMD-UHFFFAOYSA-N
Compound name
4,4-dimethyl-2-phenylcyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

232.14633 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.153606 154.1
[M+Na]+ 255.135548 159.6
[M-H]- 231.139054 159.1
[M+NH4]+ 250.180153 173.2
[M+K]+ 271.109488 156.5
[M+H-H2O]+ 215.143590 148.0
[M+HCOO]- 277.144531 172.0
[M+CH3COO]- 291.160181 189.4
[M+Na-2H]- 253.120996 156.7
[M]+ 232.14578142 150.0
[M]- 232.14687858 150.0
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