CID 57097530

Methyl 1,2,4-oxadiazole-3-carboxylate

Structural Information

Molecular Formula
C4H4N2O3
SMILES
COC(=O)C1=NOC=N1
InChI
InChI=1S/C4H4N2O3/c1-8-4(7)3-5-2-9-6-3/h2H,1H3
InChIKey
IYVALCCOSBJXTB-UHFFFAOYSA-N
Compound name
methyl 1,2,4-oxadiazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

128.02219 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.02947 119.6
[M+Na]+ 151.01141 129.1
[M-H]- 127.01491 121.6
[M+NH4]+ 146.05601 139.4
[M+K]+ 166.98535 130.9
[M+H-H2O]+ 111.01945 113.0
[M+HCOO]- 173.02039 142.9
[M+CH3COO]- 187.03604 167.0
[M+Na-2H]- 148.99686 127.7
[M]+ 128.02164 122.9
[M]- 128.02274 122.9
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

patents stripe