CID 73075307

(4r,6s)-p-menth-1-ene-4,6-diol 4-glucoside

Structural Information

Molecular Formula

C₁₆H₂₈O₇

SMILES

CC1=CCC(CC1O)(C(C)C)OC2C(C(C(C(O2)CO)O)O)O

InChI

InChI=1S/C16H28O7/c1-8(2)16(5-4-9(3)10(18)6-16)23-15-14(21)13(20)12(19)11(7-17)22-15/h4,8,10-15,17-21H,5-7H2,1-3H3

InChIKey

HLDKDYHDZWXFNX-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)-6-(5-hydroxy-4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxyoxane-3,4,5-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 332.1835 Da
Monoisotopic Mass: -0.5
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	177.7
[M+Na]+	355.172718	181.7
[M-H]-	331.176224	177.9
[M+NH4]+	350.217323	189.1
[M+K]+	371.146658	180.7
[M+H-H2O]+	315.180760	172.5
[M+HCOO]-	377.181701	185.7
[M+CH3COO]-	391.197351	201.9
[M+Na-2H]-	353.158166	175.2
[M]+	332.18295142	174.5
[M]-	332.18404858	174.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.