CID 71755757

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.