CID 77817

4,8-dioxaundecane-1,11-diol

Structural Information

Molecular Formula
C9H20O4
SMILES
C(CO)COCCCOCCCO
InChI
InChI=1S/C9H20O4/c10-4-1-6-12-8-3-9-13-7-2-5-11/h10-11H,1-9H2
InChIKey
SZXVPIADNSVGTK-UHFFFAOYSA-N
Compound name
3-[3-(3-hydroxypropoxy)propoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

281
Patents

192.13615 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.14343 144.1
[M+Na]+ 215.12537 152.0
[M+NH4]+ 210.16997 149.9
[M+K]+ 231.09931 147.1
[M-H]- 191.12887 141.4
[M+Na-2H]- 213.11082 145.3
[M]+ 192.13560 144.0
[M]- 192.13670 144.0
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.