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

2
Patents

210.09055 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.097826 162.6
[M+Na]+ 233.079768 168.5
[M-H]- 209.083274 167.1
[M+NH4]+ 228.124373 167.4
[M+K]+ 249.053708 165.0
[M+H-H2O]+ 193.087810 155.2
[M+HCOO]- 255.088751 164.2
[M+CH3COO]- 269.104401 246.8
[M+Na-2H]- 231.065216 160.5
[M]+ 210.09000142 157.5
[M]- 210.09109858 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