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]+ 190.05324 135.6
[M+Na]+ 212.03518 146.7
[M-H]- 188.03868 139.1
[M+NH4]+ 207.07978 158.9
[M+K]+ 228.00912 145.2
[M+H-H2O]+ 172.04322 132.0
[M+HCOO]- 234.04416 153.3
[M+CH3COO]- 248.05981 177.2
[M+Na-2H]- 210.02063 139.5
[M]+ 189.04541 139.7
[M]- 189.04651 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