CID 73809752

(1s,2s,4r)-p-menth-8-ene-1,2,10-triol 2-glucoside

Structural Information

Molecular Formula

C₁₆H₂₈O₈

SMILES

CC1(CCC(CC1OC2C(C(C(C(O2)CO)O)O)O)C(=C)CO)O

InChI

InChI=1S/C16H28O8/c1-8(6-17)9-3-4-16(2,22)11(5-9)24-15-14(21)13(20)12(19)10(7-18)23-15/h9-15,17-22H,1,3-7H2,2H3

InChIKey

DDQFHDNWZKJNLC-UHFFFAOYSA-N

Compound name

2-[2-hydroxy-5-(3-hydroxyprop-1-en-2-yl)-2-methylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 348.1784 Da
Monoisotopic Mass: -1.3
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]+	349.185676	180.7
[M+Na]+	371.167618	183.4
[M-H]-	347.171124	179.1
[M+NH4]+	366.212223	190.5
[M+K]+	387.141558	182.0
[M+H-H2O]+	331.175660	175.8
[M+HCOO]-	393.176601	186.1
[M+CH3COO]-	407.192251	202.4
[M+Na-2H]-	369.153066	177.3
[M]+	348.17785142	175.2
[M]-	348.17894858	175.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.