CID 15613266

Isopropyl beta-d-glucoside

Structural Information

Molecular Formula

C₉H₁₈O₆

SMILES

CC(C)OC1C(C(C(C(O1)CO)O)O)O

InChI

InChI=1S/C9H18O6/c1-4(2)14-9-8(13)7(12)6(11)5(3-10)15-9/h4-13H,3H2,1-2H3

InChIKey

UOEFDXYUEPHESS-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 12
References: 948
Patents: 222.11034 Da
Monoisotopic Mass: -1.4
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]+	223.117616	148.2
[M+Na]+	245.099558	153.9
[M-H]-	221.103064	147.1
[M+NH4]+	240.144163	162.9
[M+K]+	261.073498	153.8
[M+H-H2O]+	205.107600	143.3
[M+HCOO]-	267.108541	161.6
[M+CH3COO]-	281.124191	181.3
[M+Na-2H]-	243.085006	148.7
[M]+	222.10979142	146.7
[M]-	222.11088858	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe