CID 13597566

Ethyl 5-methyl-[1,2,4]oxadiazole-3-carboxylate

Structural Information

Molecular Formula
C6H8N2O3
SMILES
CCOC(=O)C1=NOC(=N1)C
InChI
InChI=1S/C6H8N2O3/c1-3-10-6(9)5-7-4(2)11-8-5/h3H2,1-2H3
InChIKey
HNDWRTBIZFQJTB-UHFFFAOYSA-N
Compound name
ethyl 5-methyl-1,2,4-oxadiazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

156.0535 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.060776 128.7
[M+Na]+ 179.042718 138.3
[M-H]- 155.046224 130.8
[M+NH4]+ 174.087323 147.7
[M+K]+ 195.016658 139.5
[M+H-H2O]+ 139.050760 122.1
[M+HCOO]- 201.051701 151.3
[M+CH3COO]- 215.067351 174.2
[M+Na-2H]- 177.028166 135.0
[M]+ 156.05295142 133.1
[M]- 156.05404858 133.1
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