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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05358 142.1
[M+Na]+ 233.03552 148.6
[M-H]- 209.03902 147.2
[M+NH4]+ 228.08012 158.9
[M+K]+ 249.00946 147.6
[M+H-H2O]+ 193.04356 135.8
[M+HCOO]- 255.04450 157.8
[M+CH3COO]- 269.06015 187.3
[M+Na-2H]- 231.02097 148.4
[M]+ 210.04575 140.8
[M]- 210.04685 140.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe