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: 113
Patents: 156.0535 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	157.06078	128.7
[M+Na]+	179.04272	138.3
[M-H]-	155.04622	130.8
[M+NH4]+	174.08732	147.7
[M+K]+	195.01666	139.5
[M+H-H2O]+	139.05076	122.1
[M+HCOO]-	201.05170	151.3
[M+CH3COO]-	215.06735	174.2
[M+Na-2H]-	177.02817	135.0
[M]+	156.05295	133.1
[M]-	156.05405	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe