CID 59843549

5-amam-2-cp

Structural Information

Molecular Formula

C₉H₁₁ClN₂O

SMILES

CC(=O)N(C)CC1=CN=C(C=C1)Cl

InChI

InChI=1S/C9H11ClN2O/c1-7(13)12(2)6-8-3-4-9(10)11-5-8/h3-5H,6H2,1-2H3

InChIKey

FFKDBDOYQUWIEU-UHFFFAOYSA-N

Compound name

N-[(6-chloropyridin-3-yl)methyl]-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 26
Patents: 198.05598 Da
Monoisotopic Mass: 1.1
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]+	199.06326	140.2
[M+Na]+	221.04520	153.3
[M+NH4]+	216.08980	148.6
[M+K]+	237.01914	146.9
[M-H]-	197.04870	142.4
[M+Na-2H]-	219.03065	147.4
[M]+	198.05543	142.9
[M]-	198.05653	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe