CID 76376878

Glytoucan:g57223vi

Structural Information

Molecular Formula
C17H30O15
SMILES
C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)OC3C(C(C(O3)CO)O)O)O)O)O)O)O)O
InChI
InChI=1S/C17H30O15/c18-1-4-7(20)10(23)13(26)16(30-4)28-3-6-9(22)11(24)14(15(27)29-6)32-17-12(25)8(21)5(2-19)31-17/h4-27H,1-3H2
InChIKey
KXPJZDSXKZWJBT-UHFFFAOYSA-N
Compound name
2-[[5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4,6-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

474.15848 Da
Monoisotopic Mass

-5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.165756 210.7
[M+Na]+ 497.147698 210.4
[M-H]- 473.151204 203.3
[M+NH4]+ 492.192303 209.9
[M+K]+ 513.121638 215.2
[M+H-H2O]+ 457.155740 204.0
[M+HCOO]- 519.156681 212.3
[M+CH3COO]- 533.172331 225.1
[M+Na-2H]- 495.133146 229.7
[M]+ 474.15793142 204.9
[M]- 474.15902858 204.9
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.