CID 11824292

Methyl ester octyl alpha-1o-d-mannopyrannoside

Structural Information

Molecular Formula
C16H30O8
SMILES
COC(=O)CCCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C16H30O8/c1-22-12(18)8-6-4-2-3-5-7-9-23-16-15(21)14(20)13(19)11(10-17)24-16/h11,13-17,19-21H,2-10H2,1H3/t11-,13-,14+,15+,16+/m1/s1
InChIKey
ZJZBQHWSENWEMY-VMMWWAARSA-N
Compound name
methyl 9-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

350.19406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20134 182.7
[M+Na]+ 373.18328 187.8
[M+NH4]+ 368.22788 184.8
[M+K]+ 389.15722 186.2
[M-H]- 349.18678 179.9
[M+Na-2H]- 371.16873 179.0
[M]+ 350.19351 181.9
[M]- 350.19461 181.9
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