CID 118005

32850-35-4

Structural Information

Molecular Formula
C8H18O6
SMILES
C(COCC(CO)O)OCC(CO)O
InChI
InChI=1S/C8H18O6/c9-3-7(11)5-13-1-2-14-6-8(12)4-10/h7-12H,1-6H2
InChIKey
QLKSFCHONRVCOU-UHFFFAOYSA-N
Compound name
3-[2-(2,3-dihydroxypropoxy)ethoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

210.11034 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.117616 147.4
[M+Na]+ 233.099558 151.1
[M-H]- 209.103064 141.4
[M+NH4]+ 228.144163 163.0
[M+K]+ 249.073498 150.7
[M+H-H2O]+ 193.107600 142.1
[M+HCOO]- 255.108541 163.8
[M+CH3COO]- 269.124191 177.0
[M+Na-2H]- 231.085006 148.7
[M]+ 210.10979142 149.1
[M]- 210.11088858 149.1
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