CID 82665410

1782214-72-5

Structural Information

Molecular Formula
C9H8BrNO3
SMILES
C1CC1N2C=C(C=C(C2=O)C(=O)O)Br
InChI
InChI=1S/C9H8BrNO3/c10-5-3-7(9(13)14)8(12)11(4-5)6-1-2-6/h3-4,6H,1-2H2,(H,13,14)
InChIKey
QQKLGBQPJMUBSI-UHFFFAOYSA-N
Compound name
5-bromo-1-cyclopropyl-2-oxopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.96875 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.97603 138.1
[M+Na]+ 279.95797 143.2
[M+NH4]+ 275.00257 142.5
[M+K]+ 295.93191 145.7
[M-H]- 255.96147 144.1
[M+Na-2H]- 277.94342 143.9
[M]+ 256.96820 140.3
[M]- 256.96930 140.3
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.