CID 11253185

159603-71-1

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O₂

SMILES

CC(C)(C)OC(=O)NC1=NC(=CC=C1)Cl

InChI

InChI=1S/C10H13ClN2O2/c1-10(2,3)15-9(14)13-8-6-4-5-7(11)12-8/h4-6H,1-3H3,(H,12,13,14)

InChIKey

UEYNRRQJJHZENW-UHFFFAOYSA-N

Compound name

tert-butyl N-(6-chloropyridin-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 227
Patents: 228.06656 Da
Monoisotopic Mass: 2.7
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]+	229.07384	148.9
[M+Na]+	251.05578	157.4
[M-H]-	227.05928	151.5
[M+NH4]+	246.10038	166.7
[M+K]+	267.02972	154.4
[M+H-H2O]+	211.06382	143.2
[M+HCOO]-	273.06476	166.5
[M+CH3COO]-	287.08041	189.1
[M+Na-2H]-	249.04123	155.3
[M]+	228.06601	152.1
[M]-	228.06711	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe