CID 16791350

1-(2-aminoethyl)-1,2-dihydropyridin-2-one dihydrochloride

Structural Information

Molecular Formula
C7H10N2O
SMILES
C1=CC(=O)N(C=C1)CCN
InChI
InChI=1S/C7H10N2O/c8-4-6-9-5-2-1-3-7(9)10/h1-3,5H,4,6,8H2
InChIKey
IZSOENLZRWXCER-UHFFFAOYSA-N
Compound name
1-(2-aminoethyl)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

138.07932 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 125.8
[M+Na]+ 161.06854 134.4
[M-H]- 137.07204 128.0
[M+NH4]+ 156.11314 145.9
[M+K]+ 177.04248 132.4
[M+H-H2O]+ 121.07658 119.4
[M+HCOO]- 183.07752 150.5
[M+CH3COO]- 197.09317 174.3
[M+Na-2H]- 159.05399 133.7
[M]+ 138.07877 124.8
[M]- 138.07987 124.8
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

patents stripe