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

242
Patents

187.95853 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.96581 126.4
[M+Na]+ 210.94775 139.2
[M-H]- 186.95125 130.4
[M+NH4]+ 205.99235 147.5
[M+K]+ 226.92169 127.3
[M+H-H2O]+ 170.95579 126.2
[M+HCOO]- 232.95673 147.7
[M+CH3COO]- 246.97238 177.8
[M+Na-2H]- 208.93320 135.0
[M]+ 187.95798 141.9
[M]- 187.95908 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