CID 7330593

171178-45-3

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O₂

SMILES

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

InChI

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

InChIKey

IRHNQVINMHHEIO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 361
Patents: 228.06656 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]+	229.07384	148.9
[M+Na]+	251.05578	160.9
[M+NH4]+	246.10038	156.2
[M+K]+	267.02972	155.5
[M-H]-	227.05928	149.6
[M+Na-2H]-	249.04123	155.0
[M]+	228.06601	151.0
[M]-	228.06711	151.0

Literature stripe

literature stripe

Patent stripe

patents stripe