CID 12026212

2-chloro-n-isopropylisonicotinamide

Structural Information

Molecular Formula

C₉H₁₁ClN₂O

SMILES

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

InChI

InChI=1S/C9H11ClN2O/c1-6(2)12-9(13)7-3-4-11-8(10)5-7/h3-6H,1-2H3,(H,12,13)

InChIKey

QZSSGGZMSWRLKH-UHFFFAOYSA-N

Compound name

2-chloro-N-propan-2-ylpyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 198.05598 Da
Monoisotopic Mass: 1.7
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]+	199.06326	140.8
[M+Na]+	221.04520	153.3
[M+NH4]+	216.08980	148.8
[M+K]+	237.01914	147.3
[M-H]-	197.04870	142.5
[M+Na-2H]-	219.03065	147.4
[M]+	198.05543	143.2
[M]-	198.05653	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe