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]+ 233.153606 156.6
[M+Na]+ 255.135548 161.2
[M-H]- 231.139054 161.1
[M+NH4]+ 250.180153 176.9
[M+K]+ 271.109488 157.8
[M+H-H2O]+ 215.143590 150.5
[M+HCOO]- 277.144531 176.7
[M+CH3COO]- 291.160181 186.6
[M+Na-2H]- 253.120996 159.0
[M]+ 232.14578142 153.9
[M]- 232.14687858 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.