CID 59677052

480450-20-2

Structural Information

Molecular Formula
C10H20N2O4S
SMILES
CC(C)(C)OC(=O)N[C@@H]1CCS(=O)(=O)C[C@H]1N
InChI
InChI=1S/C10H20N2O4S/c1-10(2,3)16-9(13)12-8-4-5-17(14,15)6-7(8)11/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t7-,8-/m1/s1
InChIKey
POPSAHJDHHOFHE-HTQZYQBOSA-N
Compound name
tert-butyl N-[(3S,4R)-3-amino-1,1-dioxothian-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

264.11438 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12166 156.3
[M+Na]+ 287.10360 161.5
[M-H]- 263.10710 158.7
[M+NH4]+ 282.14820 174.5
[M+K]+ 303.07754 160.1
[M+H-H2O]+ 247.11164 151.5
[M+HCOO]- 309.11258 170.8
[M+CH3COO]- 323.12823 195.6
[M+Na-2H]- 285.08905 158.4
[M]+ 264.11383 155.4
[M]- 264.11493 155.4
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