CID 713136

52745-20-7

Structural Information

Molecular Formula
C11H14N2O
SMILES
C1CCN(C1)C(=O)C2=CC=CC=C2N
InChI
InChI=1S/C11H14N2O/c12-10-6-2-1-5-9(10)11(14)13-7-3-4-8-13/h1-2,5-6H,3-4,7-8,12H2
InChIKey
AAHCONIDGZPHOL-UHFFFAOYSA-N
Compound name
(2-aminophenyl)-pyrrolidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

63
Patents

190.11061 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.117886 142.2
[M+Na]+ 213.099828 148.1
[M-H]- 189.103334 146.9
[M+NH4]+ 208.144433 161.4
[M+K]+ 229.073768 145.4
[M+H-H2O]+ 173.107870 134.8
[M+HCOO]- 235.108811 164.1
[M+CH3COO]- 249.124461 182.9
[M+Na-2H]- 211.085276 144.8
[M]+ 190.11006142 137.4
[M]- 190.11115858 137.4
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