CID 1268220

369402-94-8

Structural Information

Molecular Formula
C11H19NO6S
SMILES
CC(C)(C)OC(=O)NC1(CCS(=O)(=O)CC1)C(=O)O
InChI
InChI=1S/C11H19NO6S/c1-10(2,3)18-9(15)12-11(8(13)14)4-6-19(16,17)7-5-11/h4-7H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
NECDODYCDAMCKY-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,1-dioxothiane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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 162.5
[M+Na]+ 316.08254 167.4
[M+NH4]+ 311.12714 169.2
[M+K]+ 332.05648 161.1
[M-H]- 292.08604 159.6
[M+Na-2H]- 314.06799 166.3
[M]+ 293.09277 162.5
[M]- 293.09387 162.5
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