CID 20849934

Potassium 5-ethyl-1,2,4-oxadiazole-3-carboxylate

Structural Information

Molecular Formula

C₅H₆N₂O₃

SMILES

CCC1=NC(=NO1)C(=O)O

InChI

InChI=1S/C5H6N2O3/c1-2-3-6-4(5(8)9)7-10-3/h2H2,1H3,(H,8,9)

InChIKey

XCGHNLDUTZREGP-UHFFFAOYSA-N

Compound name

5-ethyl-1,2,4-oxadiazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 142.03784 Da
Monoisotopic Mass: 0.8
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]+	143.04512	124.8
[M+Na]+	165.02706	134.2
[M-H]-	141.03056	125.6
[M+NH4]+	160.07166	143.5
[M+K]+	181.00100	134.7
[M+H-H2O]+	125.03510	118.5
[M+HCOO]-	187.03604	146.2
[M+CH3COO]-	201.05169	169.2
[M+Na-2H]-	163.01251	131.1
[M]+	142.03729	127.0
[M]-	142.03839	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe