CID 58163889

645408-48-6

Structural Information

Molecular Formula
C15H20O2
SMILES
C1CCC(CC1)(CCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C15H20O2/c16-14(17)15(10-5-2-6-11-15)12-9-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,16,17)
InChIKey
YBPPWOLVLAYLSA-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

232.14633 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.153606 156.0
[M+Na]+ 255.135548 159.5
[M-H]- 231.139054 160.1
[M+NH4]+ 250.180153 174.3
[M+K]+ 271.109488 156.4
[M+H-H2O]+ 215.143590 149.3
[M+HCOO]- 277.144531 173.8
[M+CH3COO]- 291.160181 187.1
[M+Na-2H]- 253.120996 159.7
[M]+ 232.14578142 151.0
[M]- 232.14687858 151.0
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