CID 165784837

2825007-71-2

Structural Information

Molecular Formula
C9H15NO4S
SMILES
CC(C)(C)OC(=O)N1CCC=CS1(=O)=O
InChI
InChI=1S/C9H15NO4S/c1-9(2,3)14-8(11)10-6-4-5-7-15(10,12)13/h5,7H,4,6H2,1-3H3
InChIKey
FTGNEJCXFCSPHD-UHFFFAOYSA-N
Compound name
tert-butyl 1,1-dioxo-3,4-dihydrothiazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.07217 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.079446 147.8
[M+Na]+ 256.061388 155.7
[M-H]- 232.064894 150.2
[M+NH4]+ 251.105993 167.0
[M+K]+ 272.035328 154.8
[M+H-H2O]+ 216.069430 142.9
[M+HCOO]- 278.070371 161.8
[M+CH3COO]- 292.086021 184.0
[M+Na-2H]- 254.046836 151.8
[M]+ 233.07162142 150.7
[M]- 233.07271858 150.7
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.