CID 13434515

3-amino-5-bromo-1h-pyridin-2-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

231
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 126.4
[M+Na]+ 210.947748 139.2
[M-H]- 186.951254 130.4
[M+NH4]+ 205.992353 147.5
[M+K]+ 226.921688 127.3
[M+H-H2O]+ 170.955790 126.2
[M+HCOO]- 232.956731 147.7
[M+CH3COO]- 246.972381 177.8
[M+Na-2H]- 208.933196 135.0
[M]+ 187.95798142 141.9
[M]- 187.95907858 141.9
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