CID 19305

Ethyl(m-tolylazo)malononitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.1062 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11348 177.8
[M+Na]+ 235.09542 185.8
[M+NH4]+ 230.14002 178.4
[M+K]+ 251.06936 174.4
[M-H]- 211.09892 169.1
[M+Na-2H]- 233.08087 177.3
[M]+ 212.10565 175.2
[M]- 212.10675 175.2
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.