CID 89233

Methyl cyclopentylphenylglycolate

Structural Information

Molecular Formula
C14H18O3
SMILES
COC(=O)C(C1CCCC1)(C2=CC=CC=C2)O
InChI
InChI=1S/C14H18O3/c1-17-13(15)14(16,12-9-5-6-10-12)11-7-3-2-4-8-11/h2-4,7-8,12,16H,5-6,9-10H2,1H3
InChIKey
FGMUSNHTKNGVQD-UHFFFAOYSA-N
Compound name
methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

234.1256 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.13288 154.5
[M+Na]+ 257.11482 158.8
[M-H]- 233.11832 159.1
[M+NH4]+ 252.15942 172.8
[M+K]+ 273.08876 156.7
[M+H-H2O]+ 217.12286 148.4
[M+HCOO]- 279.12380 173.5
[M+CH3COO]- 293.13945 185.8
[M+Na-2H]- 255.10027 157.3
[M]+ 234.12505 152.0
[M]- 234.12615 152.0
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