CID 155858354

5-amino-1-methyl-3h-1lambda6,2-benzothiazol-1-one

Structural Information

Molecular Formula
C8H10N2OS
SMILES
CS1(=NCC2=C1C=CC(=C2)N)=O
InChI
InChI=1S/C8H10N2OS/c1-12(11)8-3-2-7(9)4-6(8)5-10-12/h2-4H,5,9H2,1H3
InChIKey
HCYPOFLJQJFCQA-UHFFFAOYSA-N
Compound name
1-methyl-1-oxo-3H-1,2-benzothiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.05139 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.05867 133.0
[M+Na]+ 205.04061 144.9
[M-H]- 181.04411 137.1
[M+NH4]+ 200.08521 157.2
[M+K]+ 221.01455 141.3
[M+H-H2O]+ 165.04865 128.1
[M+HCOO]- 227.04959 153.0
[M+CH3COO]- 241.06524 147.8
[M+Na-2H]- 203.02606 138.7
[M]+ 182.05084 135.3
[M]- 182.05194 135.3
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.