CID 107015

67953-24-6

Structural Information

Molecular Formula
C16H28O7S
SMILES
CCCCCCOC(=O)C(CC(=O)OC1CCCCC1)S(=O)(=O)O
InChI
InChI=1S/C16H28O7S/c1-2-3-4-8-11-22-16(18)14(24(19,20)21)12-15(17)23-13-9-6-5-7-10-13/h13-14H,2-12H2,1H3,(H,19,20,21)
InChIKey
BWADYJBIVNTHHM-UHFFFAOYSA-N
Compound name
4-cyclohexyloxy-1-hexoxy-1,4-dioxobutane-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.15558 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.16286 182.5
[M+Na]+ 387.14480 186.3
[M+NH4]+ 382.18940 185.4
[M+K]+ 403.11874 182.9
[M-H]- 363.14830 178.6
[M+Na-2H]- 385.13025 181.2
[M]+ 364.15503 181.7
[M]- 364.15613 181.7
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.