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]+ 213.11348 160.5
[M+Na]+ 235.09542 168.9
[M-H]- 211.09892 165.0
[M+NH4]+ 230.14002 172.9
[M+K]+ 251.06936 166.2
[M+H-H2O]+ 195.10346 144.2
[M+HCOO]- 257.10440 175.4
[M+CH3COO]- 271.12005 225.2
[M+Na-2H]- 233.08087 162.7
[M]+ 212.10565 153.3
[M]- 212.10675 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.