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]+ 213.032836 138.3
[M+Na]+ 235.014778 150.9
[M-H]- 211.018284 142.6
[M+NH4]+ 230.059383 161.3
[M+K]+ 250.988718 147.4
[M+H-H2O]+ 195.022820 134.0
[M+HCOO]- 257.023761 157.4
[M+CH3COO]- 271.039411 184.8
[M+Na-2H]- 233.000226 142.3
[M]+ 212.02501142 141.5
[M]- 212.02610858 141.5
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.