CID 90946

23524-75-6

Structural Information

Molecular Formula
C10H18O7S
SMILES
CC(C)OC(=O)CC(C(=O)OC(C)C)S(=O)(=O)O
InChI
InChI=1S/C10H18O7S/c1-6(2)16-9(11)5-8(18(13,14)15)10(12)17-7(3)4/h6-8H,5H2,1-4H3,(H,13,14,15)
InChIKey
VPVWRAFWLWXZRJ-UHFFFAOYSA-N
Compound name
1,4-dioxo-1,4-di(propan-2-yloxy)butane-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

282.07733 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08461 161.3
[M+Na]+ 305.06655 165.5
[M+NH4]+ 300.11115 163.9
[M+K]+ 321.04049 164.8
[M-H]- 281.07005 154.9
[M+Na-2H]- 303.05200 158.7
[M]+ 282.07678 159.8
[M]- 282.07788 159.8
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