CID 62387807

183723-75-3

Structural Information

Molecular Formula
C8H8N2O3S
SMILES
CN1C(=O)C2=C(S1(=O)=O)C=CC(=C2)N
InChI
InChI=1S/C8H8N2O3S/c1-10-8(11)6-4-5(9)2-3-7(6)14(10,12)13/h2-4H,9H2,1H3
InChIKey
NVPLNXYJCPCDAR-UHFFFAOYSA-N
Compound name
5-amino-2-methyl-1,1-dioxo-1,2-benzothiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.02556 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03284 142.5
[M+Na]+ 235.01478 153.4
[M+NH4]+ 230.05938 151.4
[M+K]+ 250.98872 146.7
[M-H]- 211.01828 143.1
[M+Na-2H]- 233.00023 147.2
[M]+ 212.02501 144.6
[M]- 212.02611 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.