CID 155970382

Tert-butyl 2-bromo-5-(methylamino)pyridine-4-carboxylate

Structural Information

Molecular Formula

C₁₁H₁₅BrN₂O₂

SMILES

CC(C)(C)OC(=O)C1=CC(=NC=C1NC)Br

InChI

InChI=1S/C11H15BrN2O2/c1-11(2,3)16-10(15)7-5-9(12)14-6-8(7)13-4/h5-6,13H,1-4H3

InChIKey

RCPOKXKUBJWMGO-UHFFFAOYSA-N

Compound name

tert-butyl 2-bromo-5-(methylamino)pyridine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 286.03168 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	287.038956	156.0
[M+Na]+	309.020898	166.9
[M-H]-	285.024404	161.3
[M+NH4]+	304.065503	174.4
[M+K]+	324.994838	156.3
[M+H-H2O]+	269.028940	154.9
[M+HCOO]-	331.029881	175.2
[M+CH3COO]-	345.045531	199.5
[M+Na-2H]-	307.006346	162.5
[M]+	286.03113142	176.4
[M]-	286.03222858	176.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.