CID 50316

1,1,2,2-cyclohex-4-enetetracarbonitrile, 4,5-dimethyl-

Structural Information

Molecular Formula
C12H10N4
SMILES
CC1=C(CC(C(C1)(C#N)C#N)(C#N)C#N)C
InChI
InChI=1S/C12H10N4/c1-9-3-11(5-13,6-14)12(7-15,8-16)4-10(9)2/h3-4H2,1-2H3
InChIKey
CKESBCLFVFLERD-UHFFFAOYSA-N
Compound name
4,5-dimethylcyclohex-4-ene-1,1,2,2-tetracarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.09055 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09783 199.2
[M+Na]+ 233.07977 201.2
[M+NH4]+ 228.12437 198.0
[M+K]+ 249.05371 194.9
[M-H]- 209.08327 193.6
[M+Na-2H]- 231.06522 195.9
[M]+ 210.09000 197.3
[M]- 210.09110 197.3
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.