CID 2901686

66178-72-1

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂S

SMILES

CC1=CC(=CC=C1)OCC2=NNC(=S)O2

InChI

InChI=1S/C10H10N2O2S/c1-7-3-2-4-8(5-7)13-6-9-11-12-10(15)14-9/h2-5H,6H2,1H3,(H,12,15)

InChIKey

BKXGWMZQIKEMTN-UHFFFAOYSA-N

Compound name

5-[(3-methylphenoxy)methyl]-3H-1,3,4-oxadiazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 222.0463 Da
Monoisotopic Mass: 2.4
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]+	223.053576	145.1
[M+Na]+	245.035518	155.9
[M-H]-	221.039024	149.6
[M+NH4]+	240.080123	161.6
[M+K]+	261.009458	152.5
[M+H-H2O]+	205.043560	138.3
[M+HCOO]-	267.044501	162.5
[M+CH3COO]-	281.060151	158.4
[M+Na-2H]-	243.020966	148.1
[M]+	222.04575142	148.6
[M]-	222.04684858	148.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.