CID 85266294

(1r,2r,4s,6r)-2,6-fenchanediol 2-o-b-d-glucoside

Structural Information

Molecular Formula

C₁₆H₂₈O₇

SMILES

CC1(C2CC(C(C2)(C1OC3C(C(C(C(O3)CO)O)O)O)C)O)C

InChI

InChI=1S/C16H28O7/c1-15(2)7-4-9(18)16(3,5-7)14(15)23-13-12(21)11(20)10(19)8(6-17)22-13/h7-14,17-21H,4-6H2,1-3H3

InChIKey

ZXTOJNKDXKFQAG-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)-6-[(6-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]oxane-3,4,5-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 332.1835 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	333.190776	174.3
[M+Na]+	355.172718	180.8
[M-H]-	331.176224	174.6
[M+NH4]+	350.217323	193.3
[M+K]+	371.146658	178.3
[M+H-H2O]+	315.180760	173.5
[M+HCOO]-	377.181701	182.7
[M+CH3COO]-	391.197351	201.1
[M+Na-2H]-	353.158166	173.5
[M]+	332.18295142	173.6
[M]-	332.18404858	173.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.