CID 113550

2,5,8,11-tetraoxadodecane-1,12-diol

Structural Information

Molecular Formula
C8H18O6
SMILES
C(COCCOCO)OCCOCO
InChI
InChI=1S/C8H18O6/c9-7-13-5-3-11-1-2-12-4-6-14-8-10/h9-10H,1-8H2
InChIKey
XTLHWSJNRCIWOK-UHFFFAOYSA-N
Compound name
2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethoxymethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

210.11034 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.117616 144.7
[M+Na]+ 233.099558 149.8
[M-H]- 209.103064 141.4
[M+NH4]+ 228.144163 161.9
[M+K]+ 249.073498 150.2
[M+H-H2O]+ 193.107600 138.9
[M+HCOO]- 255.108541 166.2
[M+CH3COO]- 269.124191 180.0
[M+Na-2H]- 231.085006 149.9
[M]+ 210.10979142 151.6
[M]- 210.11088858 151.6
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

patents stripe