CID 30814

Demethylchlordimeform

Structural Information

Molecular Formula

C₉H₁₁ClN₂

SMILES

CC1=C(C=CC(=C1)Cl)NC=NC

InChI

InChI=1S/C9H11ClN2/c1-7-5-8(10)3-4-9(7)12-6-11-2/h3-6H,1-2H3,(H,11,12)

InChIKey

MZCHBOYMVBQHQC-UHFFFAOYSA-N

Compound name

N-(4-chloro-2-methylphenyl)-N'-methylmethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 17
References: 197
Patents: 182.06108 Da
Monoisotopic Mass: 2.3
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]+	183.06836	137.6
[M+Na]+	205.05030	146.8
[M-H]-	181.05380	142.9
[M+NH4]+	200.09490	159.1
[M+K]+	221.02424	143.0
[M+H-H2O]+	165.05834	132.4
[M+HCOO]-	227.05928	161.3
[M+CH3COO]-	241.07493	188.2
[M+Na-2H]-	203.03575	144.8
[M]+	182.06053	139.9
[M]-	182.06163	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe