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]+ 183.066526 162.0
[M+Na]+ 205.048468 167.9
[M-H]- 181.051974 166.4
[M+NH4]+ 200.093073 166.9
[M+K]+ 221.022408 164.2
[M+H-H2O]+ 165.056510 154.5
[M+HCOO]- 227.057451 163.7
[M+CH3COO]- 241.073101 245.5
[M+Na-2H]- 203.033916 160.3
[M]+ 182.05870142 156.7
[M]- 182.05979858 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

literature stripe

Patent stripe

patents stripe