CID 19306

Ethyl(p-tolylazo)malononitrile

Structural Information

Molecular Formula
C12H12N4
SMILES
CC1=CC=C(C=C1)N=NCCC(C#N)C#N
InChI
InChI=1S/C12H12N4/c1-10-2-4-12(5-3-10)16-15-7-6-11(8-13)9-14/h2-5,11H,6-7H2,1H3
InChIKey
IEWDIDOXHDANGY-UHFFFAOYSA-N
Compound name
2-[2-[(4-methylphenyl)diazenyl]ethyl]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.1062 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.113476 160.5
[M+Na]+ 235.095418 168.9
[M-H]- 211.098924 165.0
[M+NH4]+ 230.140023 172.9
[M+K]+ 251.069358 166.2
[M+H-H2O]+ 195.103460 144.2
[M+HCOO]- 257.104401 175.4
[M+CH3COO]- 271.120051 225.2
[M+Na-2H]- 233.080866 162.7
[M]+ 212.10565142 153.3
[M]- 212.10674858 153.3
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.