CID 84815116

1783603-67-7

Structural Information

Molecular Formula
C11H19NO6S
SMILES
CC(C)(C)OC(=O)N1CCS(=O)(=O)C(C1)CC(=O)O
InChI
InChI=1S/C11H19NO6S/c1-11(2,3)18-10(15)12-4-5-19(16,17)8(7-12)6-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKey
ZFZPIEHEEMGHEZ-UHFFFAOYSA-N
Compound name
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-1,4-thiazinan-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

293.09332 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.10060 161.0
[M+Na]+ 316.08254 166.8
[M-H]- 292.08604 161.4
[M+NH4]+ 311.12714 176.7
[M+K]+ 332.05648 166.0
[M+H-H2O]+ 276.09058 156.5
[M+HCOO]- 338.09152 170.9
[M+CH3COO]- 352.10717 193.7
[M+Na-2H]- 314.06799 162.0
[M]+ 293.09277 163.5
[M]- 293.09387 163.5
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