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]+ 141.06586 120.0
[M+Na]+ 163.04780 127.6
[M-H]- 139.05130 122.2
[M+NH4]+ 158.09240 132.5
[M+K]+ 179.02174 131.9
[M+H-H2O]+ 123.05584 103.3
[M+HCOO]- 185.05678 137.4
[M+CH3COO]- 199.07243 189.5
[M+Na-2H]- 161.03325 125.3
[M]+ 140.05803 123.5
[M]- 140.05913 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.