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 184.7
[M+Na]+ 405.17312 186.1
[M-H]- 381.17662 182.5
[M+NH4]+ 400.21772 192.5
[M+K]+ 421.14706 187.1
[M+H-H2O]+ 365.18116 181.2
[M+HCOO]- 427.18210 188.4
[M+CH3COO]- 441.19775 205.0
[M+Na-2H]- 403.15857 183.8
[M]+ 382.18335 182.9
[M]- 382.18445 182.9
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.