CID 138394782

61849-72-7

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]+ 427.25378 197.8
[M+Na]+ 449.23572 198.3
[M-H]- 425.23922 194.4
[M+NH4]+ 444.28032 203.7
[M+K]+ 465.20966 198.5
[M+H-H2O]+ 409.24376 189.7
[M+HCOO]- 471.24470 209.5
[M+CH3COO]- 485.26035 219.2
[M+Na-2H]- 447.22117 195.8
[M]+ 426.24595 206.5
[M]- 426.24705 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.