CID 86775638

5-bromo-1,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid

Structural Information

Molecular Formula
C8H8BrNO3
SMILES
CC1=C(C=C(C(=O)N1C)C(=O)O)Br
InChI
InChI=1S/C8H8BrNO3/c1-4-6(9)3-5(8(12)13)7(11)10(4)2/h3H,1-2H3,(H,12,13)
InChIKey
IFPREJFNUSQNLP-UHFFFAOYSA-N
Compound name
5-bromo-1,6-dimethyl-2-oxopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

244.96877 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.97605 137.4
[M+Na]+ 267.95799 151.3
[M-H]- 243.96149 142.3
[M+NH4]+ 263.00259 157.3
[M+K]+ 283.93193 140.4
[M+H-H2O]+ 227.96603 137.5
[M+HCOO]- 289.96697 157.0
[M+CH3COO]- 303.98262 188.6
[M+Na-2H]- 265.94344 143.0
[M]+ 244.96822 157.8
[M]- 244.96932 157.8
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