CID 129627942

Methyl glucose laurate

Structural Information

Molecular Formula
C19H36O8
SMILES
CCCCCCCCCCC(C)C(=O)OC1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
InChI
InChI=1S/C19H36O8/c1-3-4-5-6-7-8-9-10-11-13(2)18(24)27-19(25)17(23)16(22)15(21)14(12-20)26-19/h13-17,20-23,25H,3-12H2,1-2H3/t13?,14-,15-,16+,17-,19?/m1/s1
InChIKey
ITUIAPJULLGLMI-HSPZGVKFSA-N
Compound name
[(3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl] 2-methyldodecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

392.24103 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.24831 194.6
[M+Na]+ 415.23025 196.1
[M-H]- 391.23375 190.4
[M+NH4]+ 410.27485 203.4
[M+K]+ 431.20419 195.1
[M+H-H2O]+ 375.23829 189.3
[M+HCOO]- 437.23923 202.6
[M+CH3COO]- 451.25488 212.8
[M+Na-2H]- 413.21570 190.6
[M]+ 392.24048 197.0
[M]- 392.24158 197.0
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

No patent data available for this compound.