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 153.0
[M+Na]+ 254.12638 157.8
[M-H]- 230.12988 158.6
[M+NH4]+ 249.17098 170.7
[M+K]+ 270.10032 154.9
[M+H-H2O]+ 214.13442 144.5
[M+HCOO]- 276.13536 176.9
[M+CH3COO]- 290.15101 195.6
[M+Na-2H]- 252.11183 155.6
[M]+ 231.13661 149.3
[M]- 231.13771 149.3
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.