CID 13571134

2-(1,2-benzisothiazol-3-yloxy)acetamide

Structural Information

Molecular Formula
C9H8N2O2S
SMILES
C1=CC=C2C(=C1)C(=NS2)OCC(=O)N
InChI
InChI=1S/C9H8N2O2S/c10-8(12)5-13-9-6-3-1-2-4-7(6)14-11-9/h1-4H,5H2,(H2,10,12)
InChIKey
RVOTWSQZXVMKPD-UHFFFAOYSA-N
Compound name
2-(1,2-benzothiazol-3-yloxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.03065 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.037926 140.4
[M+Na]+ 231.019868 150.7
[M-H]- 207.023374 144.2
[M+NH4]+ 226.064473 161.1
[M+K]+ 246.993808 147.5
[M+H-H2O]+ 191.027910 134.4
[M+HCOO]- 253.028851 160.8
[M+CH3COO]- 267.044501 184.2
[M+Na-2H]- 229.005316 145.0
[M]+ 208.03010142 144.6
[M]- 208.03119858 144.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.