CID 46739290

3-(n-boc-aminomethyl)-5-bromopyridine

Structural Information

Molecular Formula

C₁₁H₁₅BrN₂O₂

SMILES

CC(C)(C)OC(=O)NCC1=CC(=CN=C1)Br

InChI

InChI=1S/C11H15BrN2O2/c1-11(2,3)16-10(15)14-6-8-4-9(12)7-13-5-8/h4-5,7H,6H2,1-3H3,(H,14,15)

InChIKey

VZPOHASZICQBDX-UHFFFAOYSA-N

Compound name

tert-butyl N-[(5-bromo-3-pyridinyl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 47
Patents: 286.03168 Da
Monoisotopic Mass: 2.0
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	156.8
[M+Na]+	309.020898	166.9
[M-H]-	285.024404	161.7
[M+NH4]+	304.065503	174.9
[M+K]+	324.994838	156.2
[M+H-H2O]+	269.028940	155.6
[M+HCOO]-	331.029881	176.0
[M+CH3COO]-	345.045531	197.8
[M+Na-2H]-	307.006346	163.9
[M]+	286.03113142	176.7
[M]-	286.03222858	176.7

Literature stripe

literature stripe

Patent stripe

patents stripe