CID 52911268

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

Structural Information

Molecular Formula
C6H7BrN2O
SMILES
CN1C=C(C=C(C1=O)N)Br
InChI
InChI=1S/C6H7BrN2O/c1-9-3-4(7)2-5(8)6(9)10/h2-3H,8H2,1H3
InChIKey
KRUDZWOELKQDJW-UHFFFAOYSA-N
Compound name
3-amino-5-bromo-1-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

827
Patents

201.97418 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98146 129.6
[M+Na]+ 224.96340 143.3
[M-H]- 200.96690 135.1
[M+NH4]+ 220.00800 151.1
[M+K]+ 240.93734 132.1
[M+H-H2O]+ 184.97144 129.2
[M+HCOO]- 246.97238 152.0
[M+CH3COO]- 260.98803 184.1
[M+Na-2H]- 222.94885 137.6
[M]+ 201.97363 147.6
[M]- 201.97473 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

literature stripe

Patent stripe

patents stripe