CID 771615

313223-82-4

Structural Information

Molecular Formula

C₉H₈N₂O₂S

SMILES

C1COC2=C(O1)C=C3C(=C2)SC(=N3)N

InChI

InChI=1S/C9H8N2O2S/c10-9-11-5-3-6-7(4-8(5)14-9)13-2-1-12-6/h3-4H,1-2H2,(H2,10,11)

InChIKey

IURPFIBKOPUBIT-UHFFFAOYSA-N

Compound name

6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 10
Patents: 208.03065 Da
Monoisotopic Mass: 1.7
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]+	209.03793	138.8
[M+Na]+	231.01987	152.2
[M+NH4]+	226.06447	148.8
[M+K]+	246.99381	146.3
[M-H]-	207.02337	144.6
[M+Na-2H]-	229.00532	143.4
[M]+	208.03010	142.9
[M]-	208.03120	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe