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]+ 199.097826 157.9
[M+Na]+ 221.079768 166.0
[M-H]- 197.083274 162.2
[M+NH4]+ 216.124373 170.4
[M+K]+ 237.053708 163.3
[M+H-H2O]+ 181.087810 141.5
[M+HCOO]- 243.088751 173.0
[M+CH3COO]- 257.104401 222.5
[M+Na-2H]- 219.065216 160.9
[M]+ 198.09000142 150.3
[M]- 198.09109858 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.