CID 2765756

420130-76-3

Structural Information

Molecular Formula

C₉H₁₀N₂O₂S

SMILES

C1COC2=C(O1)C=CC(=C2)NC(=S)N

InChI

InChI=1S/C9H10N2O2S/c10-9(14)11-6-1-2-7-8(5-6)13-4-3-12-7/h1-2,5H,3-4H2,(H3,10,11,14)

InChIKey

ZLHUIODCBXKMHO-UHFFFAOYSA-N

Compound name

2,3-dihydro-1,4-benzodioxin-6-ylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 9
Patents: 210.0463 Da
Monoisotopic Mass: 0.8
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]+	211.05358	143.0
[M+Na]+	233.03552	153.5
[M+NH4]+	228.08012	151.7
[M+K]+	249.00946	146.8
[M-H]-	209.03902	148.8
[M+Na-2H]-	231.02097	147.1
[M]+	210.04575	146.4
[M]-	210.04685	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe