CID 70701115

Methyl 5-bromo-6-methylpicolinate

Structural Information

Molecular Formula
C8H8BrNO2
SMILES
CC1=C(C=CC(=N1)C(=O)OC)Br
InChI
InChI=1S/C8H8BrNO2/c1-5-6(9)3-4-7(10-5)8(11)12-2/h3-4H,1-2H3
InChIKey
IZHGDXUQVBDEBG-UHFFFAOYSA-N
Compound name
methyl 5-bromo-6-methylpyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

70
Patents

228.97385 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.98113 138.2
[M+Na]+ 251.96307 142.1
[M+NH4]+ 247.00767 142.5
[M+K]+ 267.93701 142.7
[M-H]- 227.96657 138.0
[M+Na-2H]- 249.94852 141.7
[M]+ 228.97330 137.5
[M]- 228.97440 137.5
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

patents stripe