CID 111487

Einecs 273-443-2

Structural Information

Molecular Formula
C12H26O4
SMILES
CC(C)C(C(C)(C)COCCO)OCCO
InChI
InChI=1S/C12H26O4/c1-10(2)11(16-8-6-14)12(3,4)9-15-7-5-13/h10-11,13-14H,5-9H2,1-4H3
InChIKey
GPKLLERXYXMLED-UHFFFAOYSA-N
Compound name
2-[3-(2-hydroxyethoxy)-2,2,4-trimethylpentoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.1831 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.19038 159.6
[M+Na]+ 257.17232 163.3
[M-H]- 233.17582 156.3
[M+NH4]+ 252.21692 176.2
[M+K]+ 273.14626 163.1
[M+H-H2O]+ 217.18036 154.7
[M+HCOO]- 279.18130 175.8
[M+CH3COO]- 293.19695 190.0
[M+Na-2H]- 255.15777 160.8
[M]+ 234.18255 163.4
[M]- 234.18365 163.4
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.