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

11
Patents

208.03065 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.037926 136.8
[M+Na]+ 231.019868 148.0
[M-H]- 207.023374 142.7
[M+NH4]+ 226.064473 156.3
[M+K]+ 246.993808 146.7
[M+H-H2O]+ 191.027910 131.6
[M+HCOO]- 253.028851 153.6
[M+CH3COO]- 267.044501 151.1
[M+Na-2H]- 229.005316 144.4
[M]+ 208.03010142 140.0
[M]- 208.03119858 140.0
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