CID 43212095

1-[(3-aminophenyl)methyl]pyrrolidine-2-carboxamide

Structural Information

Molecular Formula
C12H17N3O
SMILES
C1CC(N(C1)CC2=CC(=CC=C2)N)C(=O)N
InChI
InChI=1S/C12H17N3O/c13-10-4-1-3-9(7-10)8-15-6-2-5-11(15)12(14)16/h1,3-4,7,11H,2,5-6,8,13H2,(H2,14,16)
InChIKey
OOCFPTIGXLHTRJ-UHFFFAOYSA-N
Compound name
1-[(3-aminophenyl)methyl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.13716 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.14444 150.8
[M+Na]+ 242.12638 159.8
[M+NH4]+ 237.17098 158.2
[M+K]+ 258.10032 156.5
[M-H]- 218.12988 154.1
[M+Na-2H]- 240.11183 156.0
[M]+ 219.13661 152.6
[M]- 219.13771 152.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.