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 138.4
[M+Na]+ 173.03214 156.5
[M-H]- 149.03564 146.6
[M+NH4]+ 168.07674 153.5
[M+K]+ 189.00608 150.0
[M+H-H2O]+ 133.04018 129.3
[M+HCOO]- 195.04112 154.1
[M+CH3COO]- 209.05677 212.1
[M+Na-2H]- 171.01759 144.7
[M]+ 150.04237 136.9
[M]- 150.04347 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.