CID 263681

Ccg-2046

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

2
Patents

198.09055 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.097826 156.7
[M+Na]+ 221.079768 167.1
[M-H]- 197.083274 163.4
[M+NH4]+ 216.124373 163.0
[M+K]+ 237.053708 161.5
[M+H-H2O]+ 181.087810 152.6
[M+HCOO]- 243.088751 160.5
[M+CH3COO]- 257.104401 246.9
[M+Na-2H]- 219.065216 157.2
[M]+ 198.09000142 155.0
[M]- 198.09109858 155.0
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