CID 25247813

Ethyl 3-cyclopropyl-1,2,4-oxadiazole-5-carboxylate

Structural Information

Molecular Formula

C₈H₁₀N₂O₃

SMILES

CCOC(=O)C1=NC(=NO1)C2CC2

InChI

InChI=1S/C8H10N2O3/c1-2-12-8(11)7-9-6(10-13-7)5-3-4-5/h5H,2-4H2,1H3

InChIKey

PMRBTIANPAMXMF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 182.06914 Da
Monoisotopic Mass: 1.3
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]+	183.076416	142.3
[M+Na]+	205.058358	153.0
[M-H]-	181.061864	148.2
[M+NH4]+	200.102963	155.3
[M+K]+	221.032298	151.7
[M+H-H2O]+	165.066400	134.6
[M+HCOO]-	227.067341	164.3
[M+CH3COO]-	241.082991	182.2
[M+Na-2H]-	203.043806	147.3
[M]+	182.06859142	148.3
[M]-	182.06968858	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe