CID 105527651

1779705-09-7

Structural Information

Molecular Formula
C11H19NO6S
SMILES
CC(C)(C)OC(=O)NC1CCS(=O)(=O)C(C1)C(=O)O
InChI
InChI=1S/C11H19NO6S/c1-11(2,3)18-10(15)12-7-4-5-19(16,17)8(6-7)9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
NEDFVEWQTFKLKK-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,1-dioxothiane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.09332 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.10060 163.5
[M+Na]+ 316.08254 168.7
[M+NH4]+ 311.12714 168.9
[M+K]+ 332.05648 164.1
[M-H]- 292.08604 160.7
[M+Na-2H]- 314.06799 165.1
[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

No patent data available for this compound.