CID 138394782

Methyl glucoside propoxylate

Structural Information

Molecular Formula
C19H38O10
SMILES
CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)COCCCO)OCCCO)OCCCO)OCCCO
InChI
InChI=1S/C19H38O10/c1-24-19-18(28-13-5-9-23)17(27-12-4-8-22)16(26-11-3-7-21)15(29-19)14-25-10-2-6-20/h15-23H,2-14H2,1H3/t15-,16-,17+,18-,19-/m0/s1
InChIKey
GCNUSOSMERSJBN-OYSTVDSJSA-N
Compound name
3-[[(2S,3S,4R,5S,6S)-3,4,5-tris(3-hydroxypropoxy)-6-methoxyoxan-2-yl]methoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

426.2465 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.253776 197.8
[M+Na]+ 449.235718 198.3
[M-H]- 425.239224 194.4
[M+NH4]+ 444.280323 203.7
[M+K]+ 465.209658 198.5
[M+H-H2O]+ 409.243760 189.7
[M+HCOO]- 471.244701 209.5
[M+CH3COO]- 485.260351 219.2
[M+Na-2H]- 447.221166 195.8
[M]+ 426.24595142 206.5
[M]- 426.24704858 206.5
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

No patent data available for this compound.