CID 19299

Methyl(p-tolylazo)malononitrile

Structural Information

Molecular Formula

C₁₁H₁₀N₄

SMILES

CC1=CC=C(C=C1)N=NCC(C#N)C#N

InChI

InChI=1S/C11H10N4/c1-9-2-4-11(5-3-9)15-14-8-10(6-12)7-13/h2-5,10H,8H2,1H3

InChIKey

FLWGHIQWLJWDFE-UHFFFAOYSA-N

Compound name

2-[[(4-methylphenyl)diazenyl]methyl]propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 198.09055 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]+	199.09783	175.1
[M+Na]+	221.07977	183.1
[M+NH4]+	216.12437	175.8
[M+K]+	237.05371	171.9
[M-H]-	197.08327	166.3
[M+Na-2H]-	219.06522	174.7
[M]+	198.09000	172.4
[M]-	198.09110	172.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe