CID 15845

((p-ethoxyphenyl)azo)ethylmalononitrile

Structural Information

Molecular Formula
C13H14N4O
SMILES
CCOC1=CC=C(C=C1)N=NCCC(C#N)C#N
InChI
InChI=1S/C13H14N4O/c1-2-18-13-5-3-12(4-6-13)17-16-8-7-11(9-14)10-15/h3-6,11H,2,7-8H2,1H3
InChIKey
WGBHTEFHPRBBRP-UHFFFAOYSA-N
Compound name
2-[2-[(4-ethoxyphenyl)diazenyl]ethyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.11676 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.124036 164.1
[M+Na]+ 265.105978 172.0
[M-H]- 241.109484 168.3
[M+NH4]+ 260.150583 175.6
[M+K]+ 281.079918 169.6
[M+H-H2O]+ 225.114020 147.5
[M+HCOO]- 287.114961 178.9
[M+CH3COO]- 301.130611 228.4
[M+Na-2H]- 263.091426 166.1
[M]+ 242.11621142 158.0
[M]- 242.11730858 158.0
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.