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]+ 232.144436 153.0
[M+Na]+ 254.126378 157.8
[M-H]- 230.129884 158.6
[M+NH4]+ 249.170983 170.7
[M+K]+ 270.100318 154.9
[M+H-H2O]+ 214.134420 144.5
[M+HCOO]- 276.135361 176.9
[M+CH3COO]- 290.151011 195.6
[M+Na-2H]- 252.111826 155.6
[M]+ 231.13661142 149.3
[M]- 231.13770858 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.