CID 126992473

1805559-39-0

Structural Information

Molecular Formula
C8H9BrN2O2
SMILES
CCOC(=O)C1=NC(=C(C=C1)N)Br
InChI
InChI=1S/C8H9BrN2O2/c1-2-13-8(12)6-4-3-5(10)7(9)11-6/h3-4H,2,10H2,1H3
InChIKey
GMFNFNQPUQHWDB-UHFFFAOYSA-N
Compound name
ethyl 5-amino-6-bromopyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.98474 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.99202 143.7
[M+Na]+ 266.97396 146.1
[M+NH4]+ 262.01856 147.3
[M+K]+ 282.94790 147.2
[M-H]- 242.97746 143.4
[M+Na-2H]- 264.95941 146.3
[M]+ 243.98419 142.5
[M]- 243.98529 142.5
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.