CID 100560

36185-83-8

Structural Information

Molecular Formula

C₁₀H₁₁N₃

SMILES

CN(C)C=NC1=CC=CC=C1C#N

InChI

InChI=1S/C10H11N3/c1-13(2)8-12-10-6-4-3-5-9(10)7-11/h3-6,8H,1-2H3

InChIKey

DZVOLCHPUOIJJV-UHFFFAOYSA-N

Compound name

N'-(2-cyanophenyl)-N,N-dimethylmethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 173.09529 Da
Monoisotopic Mass: 1.3
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]+	174.10257	142.6
[M+Na]+	196.08451	154.0
[M+NH4]+	191.12911	147.9
[M+K]+	212.05845	144.0
[M-H]-	172.08801	139.2
[M+Na-2H]-	194.06996	147.6
[M]+	173.09474	142.3
[M]-	173.09584	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe