CID 132327646

2126178-27-4

Structural Information

Molecular Formula
C12H21NO5S
SMILES
CC(C)(C)OC(=O)NC1(CCS(=O)(=O)CC1)CC=O
InChI
InChI=1S/C12H21NO5S/c1-11(2,3)18-10(15)13-12(4-7-14)5-8-19(16,17)9-6-12/h7H,4-6,8-9H2,1-3H3,(H,13,15)
InChIKey
PUMIEOFAIPXBKJ-UHFFFAOYSA-N
Compound name
tert-butyl N-[1,1-dioxo-4-(2-oxoethyl)thian-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.11404 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.12132 164.7
[M+Na]+ 314.10326 170.8
[M+NH4]+ 309.14786 172.4
[M+K]+ 330.07720 162.5
[M-H]- 290.10676 163.0
[M+Na-2H]- 312.08871 169.4
[M]+ 291.11349 165.4
[M]- 291.11459 165.4
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

No patent data available for this compound.