CID 27264

Tetraacetyl dmm

Structural Information

Molecular Formula
C16H26O14S2
SMILES
CC(=O)OC(COS(=O)(=O)C)C(C(C(COS(=O)(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C16H26O14S2/c1-9(17)27-13(7-25-31(5,21)22)15(29-11(3)19)16(30-12(4)20)14(28-10(2)18)8-26-32(6,23)24/h13-16H,7-8H2,1-6H3
InChIKey
APQICAKGPZGHER-UHFFFAOYSA-N
Compound name
[3,4,5-triacetyloxy-1,6-bis(methylsulfonyloxy)hexan-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.0764 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.08368 228.0
[M+Na]+ 529.06562 232.7
[M-H]- 505.06912 236.0
[M+NH4]+ 524.11022 248.8
[M+K]+ 545.03956 231.2
[M+H-H2O]+ 489.07366 230.8
[M+HCOO]- 551.07460 229.9
[M+CH3COO]- 565.09025 231.5
[M+Na-2H]- 527.05107 219.6
[M]+ 506.07585 237.7
[M]- 506.07695 237.7
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.