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]+ 220.144436 149.9
[M+Na]+ 242.126378 154.5
[M-H]- 218.129884 154.3
[M+NH4]+ 237.170983 167.5
[M+K]+ 258.100318 151.6
[M+H-H2O]+ 202.134420 141.7
[M+HCOO]- 264.135361 172.4
[M+CH3COO]- 278.151011 190.3
[M+Na-2H]- 240.111826 152.5
[M]+ 219.13661142 144.6
[M]- 219.13770858 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