CID 208257

Brn 0657054

Structural Information

Molecular Formula
C11H13NO3S
SMILES
CC(C)N1C(=O)CC2=CC=CC=C2S1(=O)=O
InChI
InChI=1S/C11H13NO3S/c1-8(2)12-11(13)7-9-5-3-4-6-10(9)16(12,14)15/h3-6,8H,7H2,1-2H3
InChIKey
NAWXKCLMLISGEZ-UHFFFAOYSA-N
Compound name
1,1-dioxo-2-propan-2-yl-4H-1lambda6,2-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.06161 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.068886 146.5
[M+Na]+ 262.050828 156.3
[M-H]- 238.054334 150.1
[M+NH4]+ 257.095433 166.7
[M+K]+ 278.024768 153.3
[M+H-H2O]+ 222.058870 141.0
[M+HCOO]- 284.059811 161.0
[M+CH3COO]- 298.075461 189.6
[M+Na-2H]- 260.036276 150.6
[M]+ 239.06106142 149.1
[M]- 239.06215858 149.1
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.