CID 9835588

Glucosylisomaltol

Structural Information

Molecular Formula
C12H16O8
SMILES
CC(=O)C1=C(C=CO1)OC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C12H16O8/c1-5(14)11-6(2-3-18-11)19-12-10(17)9(16)8(15)7(4-13)20-12/h2-3,7-10,12-13,15-17H,4H2,1H3
InChIKey
RRYYNIJTMYUJDC-UHFFFAOYSA-N
Compound name
1-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyfuran-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

5
Patents

288.0845 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09178 161.4
[M+Na]+ 311.07372 169.0
[M+NH4]+ 306.11832 165.1
[M+K]+ 327.04766 170.7
[M-H]- 287.07722 162.3
[M+Na-2H]- 309.05917 160.4
[M]+ 288.08395 162.1
[M]- 288.08505 162.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe