CID 21605

(o-tolylazo)malononitrile

Structural Information

Molecular Formula

C₁₀H₈N₄

SMILES

CC1=CC=CC=C1N=NC(C#N)C#N

InChI

InChI=1S/C10H8N4/c1-8-4-2-3-5-10(8)14-13-9(6-11)7-12/h2-5,9H,1H3

InChIKey

PGANELMIKKGCBI-UHFFFAOYSA-N

Compound name

2-[(2-methylphenyl)diazenyl]propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 184.07489 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]+	185.08217	172.3
[M+Na]+	207.06411	180.4
[M+NH4]+	202.10871	173.1
[M+K]+	223.03805	169.4
[M-H]-	183.06761	163.5
[M+Na-2H]-	205.04956	172.1
[M]+	184.07434	169.6
[M]-	184.07544	169.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe