CID 105454949

4-amino-5-bromo-1-methyl-1,2-dihydropyridin-2-one hydrochloride

Structural Information

Molecular Formula
C6H7BrN2O
SMILES
CN1C=C(C(=CC1=O)N)Br
InChI
InChI=1S/C6H7BrN2O/c1-9-3-4(7)5(8)2-6(9)10/h2-3H,8H2,1H3
InChIKey
STZOKHLMHZXBIK-UHFFFAOYSA-N
Compound name
4-amino-5-bromo-1-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.97418 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.981456 129.6
[M+Na]+ 224.963398 143.3
[M-H]- 200.966904 135.1
[M+NH4]+ 220.008003 151.1
[M+K]+ 240.937338 132.1
[M+H-H2O]+ 184.971440 129.2
[M+HCOO]- 246.972381 152.0
[M+CH3COO]- 260.988031 184.1
[M+Na-2H]- 222.948846 137.6
[M]+ 201.97363142 147.6
[M]- 201.97472858 147.6
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

No patent data available for this compound.