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]+	185.082166	155.3
[M+Na]+	207.064108	163.7
[M-H]-	183.067614	159.6
[M+NH4]+	202.108713	168.1
[M+K]+	223.038048	161.1
[M+H-H2O]+	167.072150	138.9
[M+HCOO]-	229.073091	170.6
[M+CH3COO]-	243.088741	220.6
[M+Na-2H]-	205.049556	158.6
[M]+	184.07434142	147.4
[M]-	184.07543858	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe