CID 101043698

1648864-65-6

Structural Information

Molecular Formula
C11H21NO5S
SMILES
CC(C)(C)OC(=O)N1CCS(=O)(=O)C(C1)CCO
InChI
InChI=1S/C11H21NO5S/c1-11(2,3)17-10(14)12-5-7-18(15,16)9(8-12)4-6-13/h9,13H,4-8H2,1-3H3
InChIKey
HSGKQKOQAGZFSJ-UHFFFAOYSA-N
Compound name
tert-butyl 2-(2-hydroxyethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

279.11404 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.12132 160.4
[M+Na]+ 302.10326 166.4
[M-H]- 278.10676 160.7
[M+NH4]+ 297.14786 177.0
[M+K]+ 318.07720 165.0
[M+H-H2O]+ 262.11130 155.7
[M+HCOO]- 324.11224 170.9
[M+CH3COO]- 338.12789 191.4
[M+Na-2H]- 300.08871 161.9
[M]+ 279.11349 162.6
[M]- 279.11459 162.6
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