CID 3049969

65423-27-0

Structural Information

Molecular Formula

C₁₁H₁₅ClN₂O

SMILES

CC(C)CCNC(=O)C1=C(N=CC=C1)Cl

InChI

InChI=1S/C11H15ClN2O/c1-8(2)5-7-14-11(15)9-4-3-6-13-10(9)12/h3-4,6,8H,5,7H2,1-2H3,(H,14,15)

InChIKey

SMTZDDFPUUIXJP-UHFFFAOYSA-N

Compound name

2-chloro-N-(3-methylbutyl)pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 226.0873 Da
Monoisotopic Mass: 2.8
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]+	227.094576	150.0
[M+Na]+	249.076518	157.3
[M-H]-	225.080024	152.0
[M+NH4]+	244.121123	167.6
[M+K]+	265.050458	153.6
[M+H-H2O]+	209.084560	143.7
[M+HCOO]-	271.085501	167.6
[M+CH3COO]-	285.101151	191.9
[M+Na-2H]-	247.061966	153.9
[M]+	226.08675142	152.2
[M]-	226.08784858	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe