CID 22350

((p-ethoxyphenyl)azo)malononitrile

Structural Information

Molecular Formula

C₁₁H₁₀N₄O

SMILES

CCOC1=CC=C(C=C1)N=NC(C#N)C#N

InChI

InChI=1S/C11H10N4O/c1-2-16-11-5-3-9(4-6-11)14-15-10(7-12)8-13/h3-6,10H,2H2,1H3

InChIKey

BDSUNRZJMUGUDD-UHFFFAOYSA-N

Compound name

2-[(4-ethoxyphenyl)diazenyl]propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 214.08546 Da
Monoisotopic Mass: 3.0
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]+	215.092736	158.8
[M+Na]+	237.074678	167.3
[M-H]-	213.078184	163.3
[M+NH4]+	232.119283	171.1
[M+K]+	253.048618	165.3
[M+H-H2O]+	197.082720	142.4
[M+HCOO]-	259.083661	174.1
[M+CH3COO]-	273.099311	224.6
[M+Na-2H]-	235.060126	161.4
[M]+	214.08491142	152.3
[M]-	214.08600858	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe