CID 5271711

Sulfuric acid mono-(5-acetylamino-3,4-dihydroxy-6-propoxy-tetrahydro-pyran-2-yl) ester

Structural Information

Molecular Formula
C10H19NO9S
SMILES
CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)OS(=O)(=O)O)O)O)NC(=O)C
InChI
InChI=1S/C10H19NO9S/c1-3-4-18-9-6(11-5(2)12)7(13)8(14)10(19-9)20-21(15,16)17/h6-10,13-14H,3-4H2,1-2H3,(H,11,12)(H,15,16,17)/t6-,7-,8+,9-,10-/m1/s1
InChIKey
PRHFHVJMCLLZOU-HOTMZDKISA-N
Compound name
[(2R,3S,4R,5R,6R)-5-acetamido-3,4-dihydroxy-6-propoxyoxan-2-yl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.07806 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.08534 165.7
[M+Na]+ 352.06728 169.8
[M-H]- 328.07078 165.2
[M+NH4]+ 347.11188 176.0
[M+K]+ 368.04122 169.8
[M+H-H2O]+ 312.07532 159.8
[M+HCOO]- 374.07626 175.5
[M+CH3COO]- 388.09191 200.8
[M+Na-2H]- 350.05273 166.8
[M]+ 329.07751 169.2
[M]- 329.07861 169.2
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.