CID 113556

Pentyl d-glucoside

Structural Information

Molecular Formula

C₁₁H₂₂O₆

SMILES

CCCCCOC1C(C(C(C(O1)CO)O)O)O

InChI

InChI=1S/C11H22O6/c1-2-3-4-5-16-11-10(15)9(14)8(13)7(6-12)17-11/h7-15H,2-6H2,1H3

InChIKey

RYIWDDCNJPSPRA-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)-6-pentoxyoxane-3,4,5-triol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 95
Patents: 250.14163 Da
Monoisotopic Mass: -0.4
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]+	251.148906	157.0
[M+Na]+	273.130848	162.0
[M-H]-	249.134354	155.4
[M+NH4]+	268.175453	170.6
[M+K]+	289.104788	161.0
[M+H-H2O]+	233.138890	151.6
[M+HCOO]-	295.139831	170.7
[M+CH3COO]-	309.155481	186.3
[M+Na-2H]-	271.116296	157.7
[M]+	250.14108142	156.9
[M]-	250.14217858	156.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe