CID 165839685

Methyl 1-cyanoazetidine-3-carboxylate

Structural Information

Molecular Formula
C6H8N2O2
SMILES
COC(=O)C1CN(C1)C#N
InChI
InChI=1S/C6H8N2O2/c1-10-6(9)5-2-8(3-5)4-7/h5H,2-3H2,1H3
InChIKey
IJJOLQKEXFXLIZ-UHFFFAOYSA-N
Compound name
methyl 1-cyanoazetidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.05858 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.065856 120.0
[M+Na]+ 163.047798 127.6
[M-H]- 139.051304 122.2
[M+NH4]+ 158.092403 132.5
[M+K]+ 179.021738 131.9
[M+H-H2O]+ 123.055840 103.3
[M+HCOO]- 185.056781 137.4
[M+CH3COO]- 199.072431 189.5
[M+Na-2H]- 161.033246 125.3
[M]+ 140.05803142 123.5
[M]- 140.05912858 123.5
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.