CID 72212362

1060813-12-8

Structural Information

Molecular Formula

C₁₁H₁₅BrN₂O₂

SMILES

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

InChI

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

InChIKey

DIMMBUVDRRUSNY-UHFFFAOYSA-N

Compound name

tert-butyl N-[(4-bromo-2-pyridinyl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 286.03168 Da
Monoisotopic Mass: 2.1
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

No literature data available for this compound.

Patent stripe

patents stripe