CID 431790

1-methyl-3h-1,2-benzisothiazol-3-imine 1-oxide

Structural Information

Molecular Formula
C8H8N2OS
SMILES
CS1(=NC(=N)C2=CC=CC=C21)=O
InChI
InChI=1S/C8H8N2OS/c1-12(11)7-5-3-2-4-6(7)8(9)10-12/h2-5,9H,1H3
InChIKey
SYVKEUKDIGZLTE-UHFFFAOYSA-N
Compound name
1-methyl-1-oxo-1,2-benzothiazol-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.03574 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04302 131.7
[M+Na]+ 203.02496 143.9
[M-H]- 179.02846 136.4
[M+NH4]+ 198.06956 156.2
[M+K]+ 218.99890 140.1
[M+H-H2O]+ 163.03300 126.9
[M+HCOO]- 225.03394 152.5
[M+CH3COO]- 239.04959 146.8
[M+Na-2H]- 201.01041 138.5
[M]+ 180.03519 134.4
[M]- 180.03629 134.4
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.