CID 7204889

5-amino-2-bromopyridine, 5-boc protected

Structural Information

Molecular Formula

C₁₀H₁₃BrN₂O₂

SMILES

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

InChI

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

InChIKey

LSFAQGJWQMNXLP-UHFFFAOYSA-N

Compound name

tert-butyl N-(6-bromopyridin-3-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 171
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	152.2
[M+Na]+	295.00527	162.7
[M-H]-	271.00877	157.3
[M+NH4]+	290.04987	170.9
[M+K]+	310.97921	152.3
[M+H-H2O]+	255.01331	151.2
[M+HCOO]-	317.01425	171.7
[M+CH3COO]-	331.02990	195.0
[M+Na-2H]-	292.99072	159.8
[M]+	272.01550	171.8
[M]-	272.01660	171.8

Literature stripe

literature stripe

Patent stripe

patents stripe