CID 72211990

1060811-29-1

Structural Information

Molecular Formula
C6H5BrN2O2
SMILES
C1=C(C=C(N=C1N)Br)C(=O)O
InChI
InChI=1S/C6H5BrN2O2/c7-4-1-3(6(10)11)2-5(8)9-4/h1-2H,(H2,8,9)(H,10,11)
InChIKey
KAYIMZWPSQTZJI-UHFFFAOYSA-N
Compound name
2-amino-6-bromopyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.95345 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.96073 133.6
[M+Na]+ 238.94267 145.6
[M-H]- 214.94617 137.5
[M+NH4]+ 233.98727 153.4
[M+K]+ 254.91661 134.4
[M+H-H2O]+ 198.95071 133.0
[M+HCOO]- 260.95165 153.8
[M+CH3COO]- 274.96730 183.4
[M+Na-2H]- 236.92812 140.5
[M]+ 215.95290 150.2
[M]- 215.95400 150.2
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