CID 135465807

3-(thiophen-2-yl)-4,5-dihydro-1,2,4-oxadiazol-5-one

Structural Information

Molecular Formula

C₆H₄N₂O₂S

SMILES

C1=CSC(=C1)C2=NOC(=O)N2

InChI

InChI=1S/C6H4N2O2S/c9-6-7-5(8-10-6)4-2-1-3-11-4/h1-3H,(H,7,8,9)

InChIKey

JMWWXAYHYFHICF-UHFFFAOYSA-N

Compound name

3-thiophen-2-yl-4H-1,2,4-oxadiazol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 167.99934 Da
Monoisotopic Mass: 1.4
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]+	169.00662	130.2
[M+Na]+	190.98856	143.0
[M+NH4]+	186.03316	138.3
[M+K]+	206.96250	139.6
[M-H]-	166.99206	133.0
[M+Na-2H]-	188.97401	136.6
[M]+	167.99879	133.1
[M]-	167.99989	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe