CID 85394

Ethanol, 2,2'-[1,4-cyclohexanediylbis(oxy)]bis-

Structural Information

Molecular Formula
C10H20O4
SMILES
C1CC(CCC1OCCO)OCCO
InChI
InChI=1S/C10H20O4/c11-5-7-13-9-1-2-10(4-3-9)14-8-6-12/h9-12H,1-8H2
InChIKey
LBTDHCQNAQRHCE-UHFFFAOYSA-N
Compound name
2-[4-(2-hydroxyethoxy)cyclohexyl]oxyethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1486
Patents

204.13615 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.14343 146.7
[M+Na]+ 227.12537 150.4
[M-H]- 203.12887 146.4
[M+NH4]+ 222.16997 164.2
[M+K]+ 243.09931 149.2
[M+H-H2O]+ 187.13341 140.9
[M+HCOO]- 249.13435 164.4
[M+CH3COO]- 263.15000 179.6
[M+Na-2H]- 225.11082 149.8
[M]+ 204.13560 145.1
[M]- 204.13670 145.1
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