CID 3020473

2,2,6,6-tetrakis(2-hydroxyethyl)cyclohexan-1-one

Structural Information

Molecular Formula
C14H26O5
SMILES
C1CC(C(=O)C(C1)(CCO)CCO)(CCO)CCO
InChI
InChI=1S/C14H26O5/c15-8-4-13(5-9-16)2-1-3-14(6-10-17,7-11-18)12(13)19/h15-18H,1-11H2
InChIKey
BTRLAZJVXPCFPY-UHFFFAOYSA-N
Compound name
2,2,6,6-tetrakis(2-hydroxyethyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.178 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.185276 164.9
[M+Na]+ 297.167218 169.2
[M-H]- 273.170724 162.1
[M+NH4]+ 292.211823 182.4
[M+K]+ 313.141158 165.9
[M+H-H2O]+ 257.175260 161.3
[M+HCOO]- 319.176201 178.5
[M+CH3COO]- 333.191851 188.7
[M+Na-2H]- 295.152666 167.3
[M]+ 274.17745142 163.2
[M]- 274.17854858 163.2
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.