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

44
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 158.7
[M+Na]+ 305.06655 163.0
[M-H]- 281.07005 157.1
[M+NH4]+ 300.11115 173.6
[M+K]+ 321.04049 163.9
[M+H-H2O]+ 265.07459 153.6
[M+HCOO]- 327.07553 170.0
[M+CH3COO]- 341.09118 194.6
[M+Na-2H]- 303.05200 156.3
[M]+ 282.07678 165.2
[M]- 282.07788 165.2
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