CID 21949260

215791-95-0

Structural Information

Molecular Formula
C9H17NO4S
SMILES
CC(C)(C)OC(=O)N1CCS(=O)(=O)CC1
InChI
InChI=1S/C9H17NO4S/c1-9(2,3)14-8(11)10-4-6-15(12,13)7-5-10/h4-7H2,1-3H3
InChIKey
UPIBPNFZLMUGQX-UHFFFAOYSA-N
Compound name
tert-butyl 1,1-dioxo-1,4-thiazinane-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

235.08783 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09511 149.2
[M+Na]+ 258.07705 156.1
[M-H]- 234.08055 151.2
[M+NH4]+ 253.12165 168.2
[M+K]+ 274.05099 155.4
[M+H-H2O]+ 218.08509 144.5
[M+HCOO]- 280.08603 161.8
[M+CH3COO]- 294.10168 184.4
[M+Na-2H]- 256.06250 152.3
[M]+ 235.08728 150.8
[M]- 235.08838 150.8
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