CID 262990

10432-35-6

Structural Information

Molecular Formula
C11H8N4
SMILES
C1CCC2(C1)C(C2(C#N)C#N)(C#N)C#N
InChI
InChI=1S/C11H8N4/c12-5-10(6-13)9(3-1-2-4-9)11(10,7-14)8-15/h1-4H2
InChIKey
RWEIIRLOUVGJMY-UHFFFAOYSA-N
Compound name
spiro[2.4]heptane-1,1,2,2-tetracarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

196.07489 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.082166 158.7
[M+Na]+ 219.064108 169.6
[M-H]- 195.067614 165.2
[M+NH4]+ 214.108713 165.1
[M+K]+ 235.038048 162.2
[M+H-H2O]+ 179.072150 154.2
[M+HCOO]- 241.073091 162.2
[M+CH3COO]- 255.088741 161.8
[M+Na-2H]- 217.049556 158.8
[M]+ 196.07434142 156.2
[M]- 196.07543858 156.2
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