CID 64146315

1408729-26-9

Structural Information

Molecular Formula
C10H17NO6S
SMILES
CC(C)(C)OC(=O)NC1(CCS(=O)(=O)C1)C(=O)O
InChI
InChI=1S/C10H17NO6S/c1-9(2,3)17-8(14)11-10(7(12)13)4-5-18(15,16)6-10/h4-6H2,1-3H3,(H,11,14)(H,12,13)
InChIKey
XSYVIWHKDHTLAH-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,1-dioxothiolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

279.07767 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.08495 157.3
[M+Na]+ 302.06689 163.6
[M-H]- 278.07039 159.2
[M+NH4]+ 297.11149 178.1
[M+K]+ 318.04083 163.1
[M+H-H2O]+ 262.07493 155.0
[M+HCOO]- 324.07587 171.8
[M+CH3COO]- 338.09152 191.0
[M+Na-2H]- 300.05234 160.7
[M]+ 279.07712 160.4
[M]- 279.07822 160.4
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