CID 66323211

2-(cyclopentylmethoxy)-2-phenylacetic acid

Structural Information

Molecular Formula
C14H18O3
SMILES
C1CCC(C1)COC(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C14H18O3/c15-14(16)13(12-8-2-1-3-9-12)17-10-11-6-4-5-7-11/h1-3,8-9,11,13H,4-7,10H2,(H,15,16)
InChIKey
QGFYDEYXYPGBIF-UHFFFAOYSA-N
Compound name
2-(cyclopentylmethoxy)-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.1256 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.13288 155.2
[M+Na]+ 257.11482 158.7
[M-H]- 233.11832 159.5
[M+NH4]+ 252.15942 173.1
[M+K]+ 273.08876 156.5
[M+H-H2O]+ 217.12286 148.4
[M+HCOO]- 279.12380 174.7
[M+CH3COO]- 293.13945 187.0
[M+Na-2H]- 255.10027 155.8
[M]+ 234.12505 152.6
[M]- 234.12615 152.6
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.