CID 54593092

2-[1-(2-phenylethyl)cyclopentyl]acetic acid

Structural Information

Molecular Formula
C15H20O2
SMILES
C1CCC(C1)(CCC2=CC=CC=C2)CC(=O)O
InChI
InChI=1S/C15H20O2/c16-14(17)12-15(9-4-5-10-15)11-8-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,16,17)
InChIKey
QPMZEGFCQHYYPT-UHFFFAOYSA-N
Compound name
2-[1-(2-phenylethyl)cyclopentyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.14633 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 156.6
[M+Na]+ 255.13555 161.2
[M-H]- 231.13905 161.1
[M+NH4]+ 250.18015 176.9
[M+K]+ 271.10949 157.8
[M+H-H2O]+ 215.14359 150.5
[M+HCOO]- 277.14453 176.7
[M+CH3COO]- 291.16018 186.6
[M+Na-2H]- 253.12100 159.0
[M]+ 232.14578 153.9
[M]- 232.14688 153.9
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.