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
2
Annotation Hits

0
References

775
Patents

334.23553 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.24281 182.7
[M+Na]+ 357.22475 188.9
[M+NH4]+ 352.26935 186.2
[M+K]+ 373.19869 185.1
[M-H]- 333.22825 181.4
[M+Na-2H]- 355.21020 180.1
[M]+ 334.23498 182.6
[M]- 334.23608 182.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe