CID 382424

Nsc669990

Structural Information

Molecular Formula
C15H26O7S
SMILES
CCCS(=O)OC1C(OC2C1OC(O2)(C)C)C3COC(O3)(C)C
InChI
InChI=1S/C15H26O7S/c1-6-7-23(16)22-11-10(9-8-17-14(2,3)19-9)18-13-12(11)20-15(4,5)21-13/h9-13H,6-8H2,1-5H3
InChIKey
MUSOGBBXUBSLSY-UHFFFAOYSA-N
Compound name
[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] propane-1-sulfinate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.13992 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.14720 174.4
[M+Na]+ 373.12914 182.0
[M-H]- 349.13264 184.9
[M+NH4]+ 368.17374 191.9
[M+K]+ 389.10308 186.7
[M+H-H2O]+ 333.13718 176.6
[M+HCOO]- 395.13812 184.7
[M+CH3COO]- 409.15377 209.5
[M+Na-2H]- 371.11459 175.4
[M]+ 350.13937 184.6
[M]- 350.14047 184.6
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.