CID 19303

Ethyl(phenylazo)malononitrile

Structural Information

Molecular Formula
C11H10N4
SMILES
C1=CC=C(C=C1)N=NCCC(C#N)C#N
InChI
InChI=1S/C11H10N4/c12-8-10(9-13)6-7-14-15-11-4-2-1-3-5-11/h1-5,10H,6-7H2
InChIKey
MDQGNSZLYUMIJL-UHFFFAOYSA-N
Compound name
2-(2-phenyldiazenylethyl)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.09055 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09783 157.9
[M+Na]+ 221.07977 166.0
[M-H]- 197.08327 162.2
[M+NH4]+ 216.12437 170.4
[M+K]+ 237.05371 163.3
[M+H-H2O]+ 181.08781 141.5
[M+HCOO]- 243.08875 173.0
[M+CH3COO]- 257.10440 222.5
[M+Na-2H]- 219.06522 160.9
[M]+ 198.09000 150.3
[M]- 198.09110 150.3
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.