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 145.9
[M+Na]+ 279.95797 160.3
[M-H]- 255.96147 154.0
[M+NH4]+ 275.00257 160.4
[M+K]+ 295.93191 148.0
[M+H-H2O]+ 239.96601 145.1
[M+HCOO]- 301.96695 165.7
[M+CH3COO]- 315.98260 191.8
[M+Na-2H]- 277.94342 151.6
[M]+ 256.96820 166.6
[M]- 256.96930 166.6
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.