CID 11116816

119639-24-6

Structural Information

Molecular Formula
C7H11NO3S
SMILES
CC(C)(C)N1C(=O)C=CS1(=O)=O
InChI
InChI=1S/C7H11NO3S/c1-7(2,3)8-6(9)4-5-12(8,10)11/h4-5H,1-3H3
InChIKey
ACMFJQJWCFZWEU-UHFFFAOYSA-N
Compound name
2-tert-butyl-1,1-dioxo-1,2-thiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

189.04596 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.053236 135.6
[M+Na]+ 212.035178 146.7
[M-H]- 188.038684 139.1
[M+NH4]+ 207.079783 158.9
[M+K]+ 228.009118 145.2
[M+H-H2O]+ 172.043220 132.0
[M+HCOO]- 234.044161 153.3
[M+CH3COO]- 248.059811 177.2
[M+Na-2H]- 210.020626 139.5
[M]+ 189.04541142 139.7
[M]- 189.04650858 139.7
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