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]+ 218.12878 148.5
[M+Na]+ 240.11072 153.7
[M-H]- 216.11422 154.3
[M+NH4]+ 235.15532 166.8
[M+K]+ 256.08466 151.1
[M+H-H2O]+ 200.11876 140.2
[M+HCOO]- 262.11970 172.8
[M+CH3COO]- 276.13535 192.6
[M+Na-2H]- 238.09617 151.6
[M]+ 217.12095 144.5
[M]- 217.12205 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.