CID 68757990

Methyl 5-bromo-6-(methylamino)pyridine-3-carboxylate

Structural Information

Molecular Formula
C8H9BrN2O2
SMILES
CNC1=C(C=C(C=N1)C(=O)OC)Br
InChI
InChI=1S/C8H9BrN2O2/c1-10-7-6(9)3-5(4-11-7)8(12)13-2/h3-4H,1-2H3,(H,10,11)
InChIKey
LWZLFWKXJCZVIA-UHFFFAOYSA-N
Compound name
methyl 5-bromo-6-(methylamino)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 141.1
[M+Na]+ 266.97396 152.8
[M-H]- 242.97746 146.5
[M+NH4]+ 262.01856 160.9
[M+K]+ 282.94790 142.4
[M+H-H2O]+ 226.98200 140.0
[M+HCOO]- 288.98294 162.8
[M+CH3COO]- 302.99859 191.4
[M+Na-2H]- 264.95941 148.6
[M]+ 243.98419 161.0
[M]- 243.98529 161.0
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