CID 45090081

Methyl 2,2-dicyanocyclopropane-1-carboxylate

Structural Information

Molecular Formula
C7H6N2O2
SMILES
COC(=O)C1CC1(C#N)C#N
InChI
InChI=1S/C7H6N2O2/c1-11-6(10)5-2-7(5,3-8)4-9/h5H,2H2,1H3
InChIKey
MVNJZGOJYGXLDW-UHFFFAOYSA-N
Compound name
methyl 2,2-dicyanocyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.04292 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05020 154.7
[M+Na]+ 173.03214 162.9
[M+NH4]+ 168.07674 156.5
[M+K]+ 189.00608 154.3
[M-H]- 149.03564 148.8
[M+Na-2H]- 171.01759 156.0
[M]+ 150.04237 153.7
[M]- 150.04347 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.