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

144
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.