CID 97700

4335-77-7

Structural Information

Molecular Formula
C14H18O3
SMILES
C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)O)O
InChI
InChI=1S/C14H18O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12,17H,2,5-6,9-10H2,(H,15,16)
InChIKey
YTRNSQPXEDGWMR-UHFFFAOYSA-N
Compound name
2-cyclohexyl-2-hydroxy-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

913
Patents

234.1256 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.13288 153.3
[M+Na]+ 257.11482 156.2
[M-H]- 233.11832 156.1
[M+NH4]+ 252.15942 168.8
[M+K]+ 273.08876 153.2
[M+H-H2O]+ 217.12286 147.0
[M+HCOO]- 279.12380 168.6
[M+CH3COO]- 293.13945 184.5
[M+Na-2H]- 255.10027 157.1
[M]+ 234.12505 146.9
[M]- 234.12615 146.9
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

No patent data available for this compound.