CID 19297

Methyl(phenylazo)malononitrile

Structural Information

Molecular Formula

C₁₀H₈N₄

SMILES

C1=CC=C(C=C1)N=NCC(C#N)C#N

InChI

InChI=1S/C10H8N4/c11-6-9(7-12)8-13-14-10-4-2-1-3-5-10/h1-5,9H,8H2

InChIKey

TYKXWUSYBPTIPC-UHFFFAOYSA-N

Compound name

2-(phenyldiazenylmethyl)propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 184.07489 Da
Monoisotopic Mass: 1.7
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]+	185.08217	173.9
[M+Na]+	207.06411	181.8
[M+NH4]+	202.10871	174.7
[M+K]+	223.03805	170.5
[M-H]-	183.06761	165.1
[M+Na-2H]-	205.04956	173.7
[M]+	184.07434	171.2
[M]-	184.07544	171.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe