CID 70040967

1-amino-5-bromo-1,2-dihydropyridin-2-one

Structural Information

Molecular Formula
C5H5BrN2O
SMILES
C1=CC(=O)N(C=C1Br)N
InChI
InChI=1S/C5H5BrN2O/c6-4-1-2-5(9)8(7)3-4/h1-3H,7H2
InChIKey
AOPGVTUEFBGYPX-UHFFFAOYSA-N
Compound name
1-amino-5-bromopyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

187.95853 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.965806 125.3
[M+Na]+ 210.947748 138.6
[M-H]- 186.951254 130.6
[M+NH4]+ 205.992353 147.1
[M+K]+ 226.921688 127.6
[M+H-H2O]+ 170.955790 125.0
[M+HCOO]- 232.956731 148.1
[M+CH3COO]- 246.972381 180.2
[M+Na-2H]- 208.933196 134.5
[M]+ 187.95798142 142.6
[M]- 187.95907858 142.6
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