CID 3638759

2-(phenylamino)-1-pyrrolidineacetamide monohydrochloride

Structural Information

Molecular Formula
C12H15N3O
SMILES
C1CC(=NC2=CC=CC=C2)N(C1)CC(=O)N
InChI
InChI=1S/C12H15N3O/c13-11(16)9-15-8-4-7-12(15)14-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H2,13,16)
InChIKey
IPEPEGDGXBZJRF-UHFFFAOYSA-N
Compound name
2-(2-phenyliminopyrrolidin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1215 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.128776 148.5
[M+Na]+ 240.110718 153.7
[M-H]- 216.114224 154.3
[M+NH4]+ 235.155323 166.8
[M+K]+ 256.084658 151.1
[M+H-H2O]+ 200.118760 140.2
[M+HCOO]- 262.119701 172.8
[M+CH3COO]- 276.135351 192.6
[M+Na-2H]- 238.096166 151.6
[M]+ 217.12095142 144.5
[M]- 217.12204858 144.5
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.