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]+ 234.07945 147.8
[M+Na]+ 256.06139 155.7
[M-H]- 232.06489 150.2
[M+NH4]+ 251.10599 167.0
[M+K]+ 272.03533 154.8
[M+H-H2O]+ 216.06943 142.9
[M+HCOO]- 278.07037 161.8
[M+CH3COO]- 292.08602 184.0
[M+Na-2H]- 254.04684 151.8
[M]+ 233.07162 150.7
[M]- 233.07272 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.