CID 564473

N-phenylcyclopentanecarboxamide

Structural Information

Molecular Formula
C12H15NO
SMILES
C1CCC(C1)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C12H15NO/c14-12(10-6-4-5-7-10)13-11-8-2-1-3-9-11/h1-3,8-10H,4-7H2,(H,13,14)
InChIKey
FRABTSINMBZPJB-UHFFFAOYSA-N
Compound name
N-phenylcyclopentanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

189.11537 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.122646 142.5
[M+Na]+ 212.104588 147.0
[M-H]- 188.108094 148.5
[M+NH4]+ 207.149193 163.0
[M+K]+ 228.078528 144.5
[M+H-H2O]+ 172.112630 135.7
[M+HCOO]- 234.113571 166.0
[M+CH3COO]- 248.129221 182.8
[M+Na-2H]- 210.090036 146.3
[M]+ 189.11482142 138.1
[M]- 189.11591858 138.1
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