CID 21225084

(x)-1,2-propanediol 1-o-b-d-glucopyranoside

Structural Information

Molecular Formula

C₉H₁₈O₇

SMILES

CC(COC1C(C(C(C(O1)CO)O)O)O)O

InChI

InChI=1S/C9H18O7/c1-4(11)3-15-9-8(14)7(13)6(12)5(2-10)16-9/h4-14H,2-3H2,1H3

InChIKey

AJLVEHFNMNRXNI-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)-6-(2-hydroxypropoxy)oxane-3,4,5-triol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 238.10526 Da
Monoisotopic Mass: -2.4
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]+	239.112536	151.1
[M+Na]+	261.094478	156.1
[M-H]-	237.097984	148.5
[M+NH4]+	256.139083	164.3
[M+K]+	277.068418	155.8
[M+H-H2O]+	221.102520	146.0
[M+HCOO]-	283.103461	163.1
[M+CH3COO]-	297.119111	181.6
[M+Na-2H]-	259.079926	151.2
[M]+	238.10471142	149.3
[M]-	238.10580858	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe