CID 113495

Undecyl glucoside

Structural Information

Molecular Formula

C₁₇H₃₄O₆

SMILES

CCCCCCCCCCCOC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

InChI

InChI=1S/C17H34O6/c1-2-3-4-5-6-7-8-9-10-11-22-17-16(21)15(20)14(19)13(12-18)23-17/h13-21H,2-12H2,1H3/t13-,14-,15+,16-,17?/m1/s1

InChIKey

ULDAPNVYSDTSFM-VDWCLKJHSA-N

Compound name

(2R,3S,4S,5R)-2-(hydroxymethyl)-6-undecoxyoxane-3,4,5-triol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 813
Patents: 334.23553 Da
Monoisotopic Mass: 3.0
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]+	335.242806	183.6
[M+Na]+	357.224748	185.9
[M-H]-	333.228254	180.8
[M+NH4]+	352.269353	193.8
[M+K]+	373.198688	183.6
[M+H-H2O]+	317.232790	177.0
[M+HCOO]-	379.233731	195.2
[M+CH3COO]-	393.249381	204.2
[M+Na-2H]-	355.210196	181.3
[M]+	334.23498142	185.6
[M]-	334.23607858	185.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe