CID 2847565

Propanenitrile, 3-(2-(2-oxo-1-pyrrolidinyl)ethyl)amino-, monohydrochloride

Structural Information

Molecular Formula
C9H15N3O
SMILES
C1CC(=O)N(C1)CCNCCC#N
InChI
InChI=1S/C9H15N3O/c10-4-2-5-11-6-8-12-7-1-3-9(12)13/h11H,1-3,5-8H2
InChIKey
HGZOYFLXLKNJHY-UHFFFAOYSA-N
Compound name
3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

181.1215 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.12878 137.8
[M+Na]+ 204.11072 145.3
[M-H]- 180.11422 138.9
[M+NH4]+ 199.15532 155.6
[M+K]+ 220.08466 143.0
[M+H-H2O]+ 164.11876 124.2
[M+HCOO]- 226.11970 156.7
[M+CH3COO]- 240.13535 195.2
[M+Na-2H]- 202.09617 141.5
[M]+ 181.12095 131.4
[M]- 181.12205 131.4
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.