CID 3027145

60336-43-8

Structural Information

Molecular Formula

C₉H₁₁ClN₂

SMILES

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

InChI

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

InChIKey

NXTHBIFVICPVOU-UHFFFAOYSA-N

Compound name

4-chloro-N,N'-dimethylbenzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 182.06108 Da
Monoisotopic Mass: 2.0
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]+	183.068356	138.4
[M+Na]+	205.050298	146.5
[M-H]-	181.053804	143.5
[M+NH4]+	200.094903	159.6
[M+K]+	221.024238	143.2
[M+H-H2O]+	165.058340	133.1
[M+HCOO]-	227.059281	161.2
[M+CH3COO]-	241.074931	187.2
[M+Na-2H]-	203.035746	145.1
[M]+	182.06053142	139.6
[M]-	182.06162858	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe