CID 97942

Cyclohexylphenylacetic acid

Structural Information

Molecular Formula
C14H18O2
SMILES
C1CCC(CC1)C(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C14H18O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,15,16)
InChIKey
AAJLPPDFIRPBDA-UHFFFAOYSA-N
Compound name
2-cyclohexyl-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

258
Patents

218.13068 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13796 150.7
[M+Na]+ 241.11990 153.4
[M-H]- 217.12340 154.6
[M+NH4]+ 236.16450 167.4
[M+K]+ 257.09384 150.7
[M+H-H2O]+ 201.12794 143.7
[M+HCOO]- 263.12888 167.8
[M+CH3COO]- 277.14453 185.4
[M+Na-2H]- 239.10535 152.8
[M]+ 218.13013 144.4
[M]- 218.13123 144.4
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