CID 737445

2-amino-5-bromonicotinic acid

Structural Information

Molecular Formula
C6H5BrN2O2
SMILES
C1=C(C=NC(=C1C(=O)O)N)Br
InChI
InChI=1S/C6H5BrN2O2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H2,8,9)(H,10,11)
InChIKey
IEPDTLRHISNBLB-UHFFFAOYSA-N
Compound name
2-amino-5-bromopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

787
Patents

215.95345 Da
Monoisotopic Mass

1.3
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

literature stripe

Patent stripe

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