CID 15844

((p-ethoxyphenyl)azo)methylmalononitrile

Structural Information

Molecular Formula
C12H12N4O
SMILES
CCOC1=CC=C(C=C1)N=NCC(C#N)C#N
InChI
InChI=1S/C12H12N4O/c1-2-17-12-5-3-11(4-6-12)16-15-9-10(7-13)8-14/h3-6,10H,2,9H2,1H3
InChIKey
LMAOOSJNNQFIMI-UHFFFAOYSA-N
Compound name
2-[[(4-ethoxyphenyl)diazenyl]methyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.1011 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.10838 161.4
[M+Na]+ 251.09032 169.7
[M-H]- 227.09382 165.8
[M+NH4]+ 246.13492 173.3
[M+K]+ 267.06426 167.5
[M+H-H2O]+ 211.09836 145.0
[M+HCOO]- 273.09930 176.5
[M+CH3COO]- 287.11495 226.5
[M+Na-2H]- 249.07577 163.8
[M]+ 228.10055 155.2
[M]- 228.10165 155.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.