CID 4586286

4370-98-3

Structural Information

Molecular Formula
C15H20O2
SMILES
CC(C1CCCCC1)(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C15H20O2/c1-15(14(16)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H,16,17)
InChIKey
SYUJOANCOQHMKN-UHFFFAOYSA-N
Compound name
2-cyclohexyl-2-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

232.14633 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 154.4
[M+Na]+ 255.13555 157.4
[M-H]- 231.13905 158.4
[M+NH4]+ 250.18015 170.8
[M+K]+ 271.10949 154.4
[M+H-H2O]+ 215.14359 147.8
[M+HCOO]- 277.14453 170.7
[M+CH3COO]- 291.16018 187.9
[M+Na-2H]- 253.12100 158.0
[M]+ 232.14578 148.7
[M]- 232.14688 148.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe