CID 263681

13017-69-1

Structural Information

Molecular Formula
C11H10N4
SMILES
CCCC1(C(C1(C#N)C#N)(C#N)C#N)C
InChI
InChI=1S/C11H10N4/c1-3-4-9(2)10(5-12,6-13)11(9,7-14)8-15/h3-4H2,1-2H3
InChIKey
OUAQSPOCQDQFEV-UHFFFAOYSA-N
Compound name
3-methyl-3-propylcyclopropane-1,1,2,2-tetracarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

11
Patents

198.09055 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09783 193.6
[M+Na]+ 221.07977 195.7
[M+NH4]+ 216.12437 192.8
[M+K]+ 237.05371 190.1
[M-H]- 197.08327 189.3
[M+Na-2H]- 219.06522 191.3
[M]+ 198.09000 192.3
[M]- 198.09110 192.3
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