CID 155978011

5-bromo-3-methoxypyridine-2-carboxamide

Structural Information

Molecular Formula
C7H7BrN2O2
SMILES
COC1=C(N=CC(=C1)Br)C(=O)N
InChI
InChI=1S/C7H7BrN2O2/c1-12-5-2-4(8)3-10-6(5)7(9)11/h2-3H,1H3,(H2,9,11)
InChIKey
MRYILDPTJIHGAE-UHFFFAOYSA-N
Compound name
5-bromo-3-methoxypyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

229.96909 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.976366 137.2
[M+Na]+ 252.958308 149.2
[M-H]- 228.961814 142.3
[M+NH4]+ 248.002913 157.2
[M+K]+ 268.932248 138.7
[M+H-H2O]+ 212.966350 136.2
[M+HCOO]- 274.967291 158.6
[M+CH3COO]- 288.982941 188.6
[M+Na-2H]- 250.943756 144.2
[M]+ 229.96854142 155.9
[M]- 229.96963858 155.9
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