CID 84811399

1784378-85-3

Structural Information

Molecular Formula
C11H22N2O4S
SMILES
CC(C)(C)OC(=O)N1CCS(=O)(=O)C(C1)CCN
InChI
InChI=1S/C11H22N2O4S/c1-11(2,3)17-10(14)13-6-7-18(15,16)9(8-13)4-5-12/h9H,4-8,12H2,1-3H3
InChIKey
OWZXRDXNIYGFIJ-UHFFFAOYSA-N
Compound name
tert-butyl 2-(2-aminoethyl)-1,1-dioxo-1,4-thiazinane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.13004 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13732 163.3
[M+Na]+ 301.11926 169.9
[M+NH4]+ 296.16386 169.7
[M+K]+ 317.09320 163.6
[M-H]- 277.12276 161.7
[M+Na-2H]- 299.10471 165.7
[M]+ 278.12949 163.9
[M]- 278.13059 163.9
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.