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]+ 279.137316 161.4
[M+Na]+ 301.119258 167.2
[M-H]- 277.122764 162.5
[M+NH4]+ 296.163863 178.2
[M+K]+ 317.093198 165.6
[M+H-H2O]+ 261.127300 156.1
[M+HCOO]- 323.128241 173.5
[M+CH3COO]- 337.143891 196.1
[M+Na-2H]- 299.104706 162.5
[M]+ 278.12949142 162.2
[M]- 278.13058858 162.2
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.