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 162.6
[M+Na]+ 233.07977 168.5
[M-H]- 209.08327 167.1
[M+NH4]+ 228.12437 167.4
[M+K]+ 249.05371 165.0
[M+H-H2O]+ 193.08781 155.2
[M+HCOO]- 255.08875 164.2
[M+CH3COO]- 269.10440 246.8
[M+Na-2H]- 231.06522 160.5
[M]+ 210.09000 157.5
[M]- 210.09110 157.5
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

patents stripe