CID 43212093

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

Structural Information

Molecular Formula
C12H17N3O
SMILES
C1CC(N(C1)CC2=CC=CC=C2N)C(=O)N
InChI
InChI=1S/C12H17N3O/c13-10-5-2-1-4-9(10)8-15-7-3-6-11(15)12(14)16/h1-2,4-5,11H,3,6-8,13H2,(H2,14,16)
InChIKey
GVQDTMFDMGDPEH-UHFFFAOYSA-N
Compound name
1-[(2-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 150.0
[M+Na]+ 242.12638 155.4
[M-H]- 218.12988 154.2
[M+NH4]+ 237.17098 167.5
[M+K]+ 258.10032 152.1
[M+H-H2O]+ 202.13442 142.1
[M+HCOO]- 264.13536 171.9
[M+CH3COO]- 278.15101 192.2
[M+Na-2H]- 240.11183 150.9
[M]+ 219.13661 144.2
[M]- 219.13771 144.2
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.