CID 155820527

4-hydroxy-1-methyl-3h-1lambda6,2-benzothiazol-1-one

Structural Information

Molecular Formula
C8H9NO2S
SMILES
CS1(=NCC2=C(C=CC=C21)O)=O
InChI
InChI=1S/C8H9NO2S/c1-12(11)8-4-2-3-7(10)6(8)5-9-12/h2-4,10H,5H2,1H3
InChIKey
RFJPAXPVFQMDNO-UHFFFAOYSA-N
Compound name
1-methyl-1-oxo-3H-1,2-benzothiazol-4-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 132.9
[M+Na]+ 206.02462 145.2
[M-H]- 182.02812 136.3
[M+NH4]+ 201.06922 157.0
[M+K]+ 221.99856 141.8
[M+H-H2O]+ 166.03266 128.7
[M+HCOO]- 228.03360 151.3
[M+CH3COO]- 242.04925 147.7
[M+Na-2H]- 204.01007 138.8
[M]+ 183.03485 136.6
[M]- 183.03595 136.6
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.