CID 111487

68966-71-2

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 157.1
[M+Na]+ 257.17232 163.5
[M+NH4]+ 252.21692 162.0
[M+K]+ 273.14626 160.8
[M-H]- 233.17582 153.2
[M+Na-2H]- 255.15777 156.8
[M]+ 234.18255 156.5
[M]- 234.18365 156.5
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.