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]+ 243.12404 164.1
[M+Na]+ 265.10598 172.0
[M-H]- 241.10948 168.3
[M+NH4]+ 260.15058 175.6
[M+K]+ 281.07992 169.6
[M+H-H2O]+ 225.11402 147.5
[M+HCOO]- 287.11496 178.9
[M+CH3COO]- 301.13061 228.4
[M+Na-2H]- 263.09143 166.1
[M]+ 242.11621 158.0
[M]- 242.11731 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.