CID 135404041

N-methyl-1,2-benzothiazol-3-amine 1,1-dioxide

Structural Information

Molecular Formula
C8H8N2O2S
SMILES
CN=C1C2=CC=CC=C2S(=O)(=O)N1
InChI
InChI=1S/C8H8N2O2S/c1-9-8-6-4-2-3-5-7(6)13(11,12)10-8/h2-5H,1H3,(H,9,10)
InChIKey
YETRYHHSQIVPAU-UHFFFAOYSA-N
Compound name
N-methyl-1,1-dioxo-1,2-benzothiazol-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

196.03065 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03793 135.9
[M+Na]+ 219.01987 147.2
[M-H]- 195.02337 140.1
[M+NH4]+ 214.06447 159.5
[M+K]+ 234.99381 143.6
[M+H-H2O]+ 179.02791 131.1
[M+HCOO]- 241.02885 155.6
[M+CH3COO]- 255.04450 180.1
[M+Na-2H]- 217.00532 141.9
[M]+ 196.03010 137.8
[M]- 196.03120 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

patents stripe