CID 43133020

N-[3-(aminomethyl)phenyl]pyrrolidine-1-carboxamide

Structural Information

Molecular Formula
C12H17N3O
SMILES
C1CCN(C1)C(=O)NC2=CC=CC(=C2)CN
InChI
InChI=1S/C12H17N3O/c13-9-10-4-3-5-11(8-10)14-12(16)15-6-1-2-7-15/h3-5,8H,1-2,6-7,9,13H2,(H,14,16)
InChIKey
AZAUJSBIJWEGND-UHFFFAOYSA-N
Compound name
N-[3-(aminomethyl)phenyl]pyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 149.9
[M+Na]+ 242.12638 154.5
[M-H]- 218.12988 154.3
[M+NH4]+ 237.17098 167.5
[M+K]+ 258.10032 151.6
[M+H-H2O]+ 202.13442 141.7
[M+HCOO]- 264.13536 172.4
[M+CH3COO]- 278.15101 190.3
[M+Na-2H]- 240.11183 152.5
[M]+ 219.13661 144.6
[M]- 219.13771 144.6
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

patents stripe