CID 98283

427-49-6

Structural Information

Molecular Formula
C13H16O3
SMILES
C1CCC(C1)C(C2=CC=CC=C2)(C(=O)O)O
InChI
InChI=1S/C13H16O3/c14-12(15)13(16,11-8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7,11,16H,4-5,8-9H2,(H,14,15)
InChIKey
WFLUEQCOAQCQLP-UHFFFAOYSA-N
Compound name
2-cyclopentyl-2-hydroxy-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

603
Patents

220.10994 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11722 150.0
[M+Na]+ 243.09916 154.2
[M-H]- 219.10266 153.4
[M+NH4]+ 238.14376 168.0
[M+K]+ 259.07310 151.4
[M+H-H2O]+ 203.10720 144.3
[M+HCOO]- 265.10814 167.8
[M+CH3COO]- 279.12379 180.9
[M+Na-2H]- 241.08461 152.9
[M]+ 220.10939 145.4
[M]- 220.11049 145.4
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