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]+ 151.050196 138.4
[M+Na]+ 173.032138 156.5
[M-H]- 149.035644 146.6
[M+NH4]+ 168.076743 153.5
[M+K]+ 189.006078 150.0
[M+H-H2O]+ 133.040180 129.3
[M+HCOO]- 195.041121 154.1
[M+CH3COO]- 209.056771 212.1
[M+Na-2H]- 171.017586 144.7
[M]+ 150.04237142 136.9
[M]- 150.04346858 136.9
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.