CID 20113138

5-amino-1-[2-(dimethylamino)ethyl]-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C9H15N3O
SMILES
CN(C)CCN1C=C(C=CC1=O)N
InChI
InChI=1S/C9H15N3O/c1-11(2)5-6-12-7-8(10)3-4-9(12)13/h3-4,7H,5-6,10H2,1-2H3
InChIKey
HSCWDVRVHYGIFA-UHFFFAOYSA-N
Compound name
5-amino-1-[2-(dimethylamino)ethyl]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

181.1215 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.12878 139.0
[M+Na]+ 204.11072 147.0
[M-H]- 180.11422 142.7
[M+NH4]+ 199.15532 157.9
[M+K]+ 220.08466 145.8
[M+H-H2O]+ 164.11876 131.7
[M+HCOO]- 226.11970 164.6
[M+CH3COO]- 240.13535 190.1
[M+Na-2H]- 202.09617 144.6
[M]+ 181.12095 139.6
[M]- 181.12205 139.6
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

patents stripe