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

91
Patents

235.08783 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.095106 149.2
[M+Na]+ 258.077048 156.1
[M-H]- 234.080554 151.2
[M+NH4]+ 253.121653 168.2
[M+K]+ 274.050988 155.4
[M+H-H2O]+ 218.085090 144.5
[M+HCOO]- 280.086031 161.8
[M+CH3COO]- 294.101681 184.4
[M+Na-2H]- 256.062496 152.3
[M]+ 235.08728142 150.8
[M]- 235.08837858 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