CID 66167

1-phenylcyclopentanecarboxylic acid

Structural Information

Molecular Formula
C12H14O2
SMILES
C1CCC(C1)(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C12H14O2/c13-11(14)12(8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,13,14)
InChIKey
RHPCYZLXNNRRMB-UHFFFAOYSA-N
Compound name
1-phenylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

912
Patents

190.09938 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 142.9
[M+Na]+ 213.08860 148.8
[M-H]- 189.09210 148.0
[M+NH4]+ 208.13320 165.0
[M+K]+ 229.06254 146.1
[M+H-H2O]+ 173.09664 137.4
[M+HCOO]- 235.09758 164.1
[M+CH3COO]- 249.11323 177.6
[M+Na-2H]- 211.07405 146.9
[M]+ 190.09883 139.2
[M]- 190.09993 139.2
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