CID 99181

4-cyclohexene-1,1,2,2-tetracarbonitrile

Structural Information

Molecular Formula
C10H6N4
SMILES
C1C=CCC(C1(C#N)C#N)(C#N)C#N
InChI
InChI=1S/C10H6N4/c11-5-9(6-12)3-1-2-4-10(9,7-13)8-14/h1-2H,3-4H2
InChIKey
VWONNTXWDHQSNW-UHFFFAOYSA-N
Compound name
cyclohex-4-ene-1,1,2,2-tetracarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

182.05925 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06653 162.0
[M+Na]+ 205.04847 167.9
[M-H]- 181.05197 166.4
[M+NH4]+ 200.09307 166.9
[M+K]+ 221.02241 164.2
[M+H-H2O]+ 165.05651 154.5
[M+HCOO]- 227.05745 163.7
[M+CH3COO]- 241.07310 245.5
[M+Na-2H]- 203.03392 160.3
[M]+ 182.05870 156.7
[M]- 182.05980 156.7
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.