CID 86775638

1630763-38-0

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

6
Patents

244.96877 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.976046 137.4
[M+Na]+ 267.957988 151.3
[M-H]- 243.961494 142.3
[M+NH4]+ 263.002593 157.3
[M+K]+ 283.931928 140.4
[M+H-H2O]+ 227.966030 137.5
[M+HCOO]- 289.966971 157.0
[M+CH3COO]- 303.982621 188.6
[M+Na-2H]- 265.943436 143.0
[M]+ 244.96822142 157.8
[M]- 244.96931858 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