CID 11816697

N-tert-butyl-6-chloronicotinamide

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂O

SMILES

CC(C)(C)NC(=O)C1=CN=C(C=C1)Cl

InChI

InChI=1S/C10H13ClN2O/c1-10(2,3)13-9(14)7-4-5-8(11)12-6-7/h4-6H,1-3H3,(H,13,14)

InChIKey

OJIUMMXADBUVFN-UHFFFAOYSA-N

Compound name

N-tert-butyl-6-chloropyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 212.07164 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]+	213.07892	145.8
[M+Na]+	235.06086	154.3
[M-H]-	211.06436	148.4
[M+NH4]+	230.10546	164.2
[M+K]+	251.03480	150.8
[M+H-H2O]+	195.06890	140.3
[M+HCOO]-	257.06984	163.1
[M+CH3COO]-	271.08549	187.7
[M+Na-2H]-	233.04631	152.1
[M]+	212.07109	147.7
[M]-	212.07219	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe