CID 85225480

1,2,10-trihydroxydihydro-trans-linalyl oxide 7-o-beta-d-glucopyranoside

Structural Information

Molecular Formula
C16H30O10
SMILES
CC(C)(C1CCC(O1)(CO)C(CO)O)OC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C16H30O10/c1-15(2,10-3-4-16(7-19,25-10)9(20)6-18)26-14-13(23)12(22)11(21)8(5-17)24-14/h8-14,17-23H,3-7H2,1-2H3
InChIKey
RYNMENUEBZLOQZ-UHFFFAOYSA-N
Compound name
2-[2-[5-(1,2-dihydroxyethyl)-5-(hydroxymethyl)oxolan-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.1839 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.19118 182.6
[M+Na]+ 405.17312 184.5
[M+NH4]+ 400.21772 184.6
[M+K]+ 421.14706 187.7
[M-H]- 381.17662 179.8
[M+Na-2H]- 403.15857 178.6
[M]+ 382.18335 181.3
[M]- 382.18445 181.3
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.