CID 154875879

2649062-95-1

Structural Information

Molecular Formula
C8H9NO2S
SMILES
CS1(=NCC2=C1C=CC(=C2)O)=O
InChI
InChI=1S/C8H9NO2S/c1-12(11)8-3-2-7(10)4-6(8)5-9-12/h2-4,10H,5H2,1H3
InChIKey
SRRHQGVMXNEDMW-UHFFFAOYSA-N
Compound name
1-methyl-1-oxo-3H-1,2-benzothiazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.0354 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.04268 135.0
[M+Na]+ 206.02462 147.7
[M+NH4]+ 201.06922 145.5
[M+K]+ 221.99856 139.7
[M-H]- 182.02812 136.3
[M+Na-2H]- 204.01007 141.8
[M]+ 183.03485 137.8
[M]- 183.03595 137.8
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.