CID 22363

((4-ethoxy-2-nitrophenyl)azo)malononitrile

Structural Information

Molecular Formula
C11H9N5O3
SMILES
CCOC1=CC(=C(C=C1)N=NC(C#N)C#N)[N+](=O)[O-]
InChI
InChI=1S/C11H9N5O3/c1-2-19-9-3-4-10(11(5-9)16(17)18)15-14-8(6-12)7-13/h3-5,8H,2H2,1H3
InChIKey
GBPMEZTYYDRQQE-UHFFFAOYSA-N
Compound name
2-[(4-ethoxy-2-nitrophenyl)diazenyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.07053 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.07781 171.2
[M+Na]+ 282.05975 178.6
[M-H]- 258.06325 175.3
[M+NH4]+ 277.10435 181.3
[M+K]+ 298.03369 174.8
[M+H-H2O]+ 242.06779 157.3
[M+HCOO]- 304.06873 186.6
[M+CH3COO]- 318.08438 226.0
[M+Na-2H]- 280.04520 173.1
[M]+ 259.06998 163.6
[M]- 259.07108 163.6
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.