CID 23583903

952212-86-1

Structural Information

Molecular Formula
C8H16N2O4S
SMILES
CC(C)(C)OC(=O)N1CCCNS1(=O)=O
InChI
InChI=1S/C8H16N2O4S/c1-8(2,3)14-7(11)10-6-4-5-9-15(10,12)13/h9H,4-6H2,1-3H3
InChIKey
TZEXBPGMKLDBTM-UHFFFAOYSA-N
Compound name
tert-butyl 1,1-dioxo-1,2,6-thiadiazinane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

236.08308 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09036 150.2
[M+Na]+ 259.07230 157.0
[M-H]- 235.07580 149.4
[M+NH4]+ 254.11690 167.0
[M+K]+ 275.04624 155.5
[M+H-H2O]+ 219.08034 145.0
[M+HCOO]- 281.08128 160.3
[M+CH3COO]- 295.09693 181.7
[M+Na-2H]- 257.05775 153.2
[M]+ 236.08253 149.9
[M]- 236.08363 149.9
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

patents stripe