CID 344795

2-phenylcyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C12H14O2
SMILES
C1CC(C(C1)C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C12H14O2/c13-12(14)11-8-4-7-10(11)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,13,14)
InChIKey
CINPEFPDYGSEDP-UHFFFAOYSA-N
Compound name
2-phenylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

190.09938 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 142.0
[M+Na]+ 213.08860 147.7
[M-H]- 189.09210 147.0
[M+NH4]+ 208.13320 162.3
[M+K]+ 229.06254 145.0
[M+H-H2O]+ 173.09664 136.0
[M+HCOO]- 235.09758 163.1
[M+CH3COO]- 249.11323 179.2
[M+Na-2H]- 211.07405 144.2
[M]+ 190.09883 138.3
[M]- 190.09993 138.3
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