CID 14177127

116026-98-3

Structural Information

Molecular Formula

C₁₀H₁₃BrN₂O₂

SMILES

CC(C)(C)OC(=O)NC1=C(N=CC=C1)Br

InChI

InChI=1S/C10H13BrN2O2/c1-10(2,3)15-9(14)13-7-5-4-6-12-8(7)11/h4-6H,1-3H3,(H,13,14)

InChIKey

QYWNZOFKKFIZAL-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-bromopyridin-3-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 102
Patents: 272.01605 Da
Monoisotopic Mass: 2.4
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]+	273.02333	152.0
[M+Na]+	295.00527	153.7
[M+NH4]+	290.04987	155.3
[M+K]+	310.97921	155.1
[M-H]-	271.00877	151.2
[M+Na-2H]-	292.99072	154.6
[M]+	272.01550	150.7
[M]-	272.01660	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe