CID 138735

Bicyclo[2.2.1]hept-5-ene-2,2,3,3-tetracarbonitrile

Structural Information

Molecular Formula
C11H6N4
SMILES
C1C2C=CC1C(C2(C#N)C#N)(C#N)C#N
InChI
InChI=1S/C11H6N4/c12-4-10(5-13)8-1-2-9(3-8)11(10,6-14)7-15/h1-2,8-9H,3H2
InChIKey
OTRJLHGHUSIRSP-UHFFFAOYSA-N
Compound name
bicyclo[2.2.1]hept-5-ene-2,2,3,3-tetracarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

24
Patents

194.05925 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06653 164.7
[M+Na]+ 217.04847 171.6
[M-H]- 193.05197 168.8
[M+NH4]+ 212.09307 170.4
[M+K]+ 233.02241 165.8
[M+H-H2O]+ 177.05651 156.9
[M+HCOO]- 239.05745 166.5
[M+CH3COO]- 253.07310 165.9
[M+Na-2H]- 215.03392 162.5
[M]+ 194.05870 159.9
[M]- 194.05980 159.9
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