CID 206028

Nsc 33261

Structural Information

Molecular Formula
C12H22O12S3
SMILES
CC1(OC2[C@H](C(OC2O1)[C@@H](COS(=O)(=O)C)OS(=O)(=O)C)OS(=O)(=O)C)C
InChI
InChI=1S/C12H22O12S3/c1-12(2)21-10-9(24-27(5,17)18)8(20-11(10)22-12)7(23-26(4,15)16)6-19-25(3,13)14/h7-11H,6H2,1-5H3/t7-,8?,9+,10?,11?/m1/s1
InChIKey
POCSFDKCXYULQS-PCHNWVTGSA-N
Compound name
[(2R)-2-[(6S)-2,2-dimethyl-6-methylsulfonyloxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-methylsulfonyloxyethyl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.02734 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.03462 192.1
[M+Na]+ 477.01656 197.2
[M-H]- 453.02006 196.0
[M+NH4]+ 472.06116 203.0
[M+K]+ 492.99050 200.2
[M+H-H2O]+ 437.02460 193.3
[M+HCOO]- 499.02554 193.5
[M+CH3COO]- 513.04119 219.8
[M+Na-2H]- 475.00201 202.5
[M]+ 454.02679 205.2
[M]- 454.02789 205.2
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

No patent data available for this compound.