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

247
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 151.5
[M+Na]+ 241.11990 162.6
[M+NH4]+ 236.16450 160.0
[M+K]+ 257.09384 156.3
[M-H]- 217.12340 154.9
[M+Na-2H]- 239.10535 158.2
[M]+ 218.13013 153.9
[M]- 218.13123 153.9
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

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