CID 45789787

Methyl 5-bromo-3-methylpicolinate

Structural Information

Molecular Formula
C8H8BrNO2
SMILES
CC1=CC(=CN=C1C(=O)OC)Br
InChI
InChI=1S/C8H8BrNO2/c1-5-3-6(9)4-10-7(5)8(11)12-2/h3-4H,1-2H3
InChIKey
KZPOANNAYCXMSH-UHFFFAOYSA-N
Compound name
methyl 5-bromo-3-methylpyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

266
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 136.9
[M+Na]+ 251.96307 149.6
[M-H]- 227.96657 142.5
[M+NH4]+ 247.00767 157.7
[M+K]+ 267.93701 139.7
[M+H-H2O]+ 211.97111 136.7
[M+HCOO]- 273.97205 157.7
[M+CH3COO]- 287.98770 186.8
[M+Na-2H]- 249.94852 144.3
[M]+ 228.97330 157.7
[M]- 228.97440 157.7
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