CID 11816697

115309-58-5

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: 36
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	146.1
[M+Na]+	235.06086	158.5
[M+NH4]+	230.10546	153.9
[M+K]+	251.03480	152.6
[M-H]-	211.06436	147.4
[M+Na-2H]-	233.04631	152.7
[M]+	212.07109	148.5
[M]-	212.07219	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe