CID 73555885

Dtxsid50971958

Structural Information

Molecular Formula
C15H28O9
SMILES
C(CCC(=O)OCC(CO)COCOCC(CO)CO)CC(=O)O
InChI
InChI=1S/C15H28O9/c16-5-12(6-17)8-22-11-23-9-13(7-18)10-24-15(21)4-2-1-3-14(19)20/h12-13,16-18H,1-11H2,(H,19,20)
InChIKey
IDJCDWRYOUMJPQ-UHFFFAOYSA-N
Compound name
6-[3-hydroxy-2-[[3-hydroxy-2-(hydroxymethyl)propoxy]methoxymethyl]propoxy]-6-oxohexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.17334 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.180616 181.7
[M+Na]+ 375.162558 182.2
[M-H]- 351.166064 174.5
[M+NH4]+ 370.207163 190.4
[M+K]+ 391.136498 182.2
[M+H-H2O]+ 335.170600 174.8
[M+HCOO]- 397.171541 193.0
[M+CH3COO]- 411.187191 203.9
[M+Na-2H]- 373.148006 177.8
[M]+ 352.17279142 187.6
[M]- 352.17388858 187.6
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

No patent data available for this compound.