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]+ 188.96581 125.3
[M+Na]+ 210.94775 138.6
[M-H]- 186.95125 130.6
[M+NH4]+ 205.99235 147.1
[M+K]+ 226.92169 127.6
[M+H-H2O]+ 170.95579 125.0
[M+HCOO]- 232.95673 148.1
[M+CH3COO]- 246.97238 180.2
[M+Na-2H]- 208.93320 134.5
[M]+ 187.95798 142.6
[M]- 187.95908 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