CID 127013118

1862103-90-9

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

CC(C)C1=NOC(=N1)OCC#C

InChI

InChI=1S/C8H10N2O2/c1-4-5-11-8-9-7(6(2)3)10-12-8/h1,6H,5H2,2-3H3

InChIKey

OOLLZICPCZZRLG-UHFFFAOYSA-N

Compound name

3-propan-2-yl-5-prop-2-ynoxy-1,2,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.07423 Da
Monoisotopic Mass: 1.7
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]+	167.08151	133.5
[M+Na]+	189.06345	144.7
[M+NH4]+	184.10805	136.9
[M+K]+	205.03739	138.9
[M-H]-	165.06695	126.2
[M+Na-2H]-	187.04890	135.1
[M]+	166.07368	132.0
[M]-	166.07478	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.