CID 11143640

6-lauroyl ethyl glucoside

Structural Information

Molecular Formula
C20H38O7
SMILES
CCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OCC)O)O)O
InChI
InChI=1S/C20H38O7/c1-3-5-6-7-8-9-10-11-12-13-16(21)26-14-15-17(22)18(23)19(24)20(27-15)25-4-2/h15,17-20,22-24H,3-14H2,1-2H3/t15-,17-,18+,19-,20?/m1/s1
InChIKey
WEZXKKHKDWFRHC-FIBJEGPVSA-N
Compound name
[(2R,3S,4S,5R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]methyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

19
Patents

390.26175 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.269026 197.6
[M+Na]+ 413.250968 199.0
[M-H]- 389.254474 195.7
[M+NH4]+ 408.295573 206.0
[M+K]+ 429.224908 197.6
[M+H-H2O]+ 373.259010 190.3
[M+HCOO]- 435.259951 209.2
[M+CH3COO]- 449.275601 217.1
[M+Na-2H]- 411.236416 193.3
[M]+ 390.26120142 202.6
[M]- 390.26229858 202.6
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