CID 791811

N-phenylpyrrolidine-1-carboxamide

Structural Information

Molecular Formula
C11H14N2O
SMILES
C1CCN(C1)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C11H14N2O/c14-11(13-8-4-5-9-13)12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,14)
InChIKey
NTBKXPQLQPBJJL-UHFFFAOYSA-N
Compound name
N-phenylpyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

82
Patents

190.11061 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.117886 142.1
[M+Na]+ 213.099828 147.0
[M-H]- 189.103334 146.8
[M+NH4]+ 208.144433 161.2
[M+K]+ 229.073768 144.8
[M+H-H2O]+ 173.107870 134.3
[M+HCOO]- 235.108811 164.6
[M+CH3COO]- 249.124461 181.7
[M+Na-2H]- 211.085276 146.4
[M]+ 190.11006142 137.7
[M]- 190.11115858 137.7
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