CID 10893439

Lauryl glucoside

Structural Information

Molecular Formula
C18H36O6
SMILES
CCCCCCCCCCCCOC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C18H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-18-17(22)16(21)15(20)14(13-19)24-18/h14-22H,2-13H2,1H3/t14-,15-,16+,17-,18?/m1/s1
InChIKey
PYIDGJJWBIBVIA-IHAUNJBESA-N
Compound name
(3R,4S,5S,6R)-2-dodecoxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

21
References

35998
Patents

348.2512 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.25848 188.0
[M+Na]+ 371.24042 189.9
[M-H]- 347.24392 185.0
[M+NH4]+ 366.28502 197.5
[M+K]+ 387.21436 187.3
[M+H-H2O]+ 331.24846 181.2
[M+HCOO]- 393.24940 199.3
[M+CH3COO]- 407.26505 207.2
[M+Na-2H]- 369.22587 185.2
[M]+ 348.25065 190.3
[M]- 348.25175 190.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe