CID 13452878

93073-40-6

Structural Information

Molecular Formula

C₁₀H₁₀N₂OS

SMILES

C1=CC=C(C=C1)CCC2=NNC(=S)O2

InChI

InChI=1S/C10H10N2OS/c14-10-12-11-9(13-10)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14)

InChIKey

LWFLSIYQAROQEJ-UHFFFAOYSA-N

Compound name

5-(2-phenylethyl)-3H-1,3,4-oxadiazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 206.05139 Da
Monoisotopic Mass: 2.3
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]+	207.05867	142.9
[M+Na]+	229.04061	156.5
[M+NH4]+	224.08521	151.2
[M+K]+	245.01455	149.6
[M-H]-	205.04411	146.8
[M+Na-2H]-	227.02606	149.9
[M]+	206.05084	146.4
[M]-	206.05194	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe