CID 878749

1-carbamidomethyl-2-benzyliminopyrrolidine chlorhydrate

Structural Information

Molecular Formula
C13H17N3O
SMILES
C1CC(=NCC2=CC=CC=C2)N(C1)CC(=O)N
InChI
InChI=1S/C13H17N3O/c14-12(17)10-16-8-4-7-13(16)15-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H2,14,17)
InChIKey
IVTQAAOFIDMLKO-UHFFFAOYSA-N
Compound name
2-(2-benzyliminopyrrolidin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

231.13716 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14444 154.8
[M+Na]+ 254.12638 164.0
[M+NH4]+ 249.17098 162.2
[M+K]+ 270.10032 159.6
[M-H]- 230.12988 158.3
[M+Na-2H]- 252.11183 160.8
[M]+ 231.13661 156.6
[M]- 231.13771 156.6
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

No patent data available for this compound.