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
2
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]+ 235.190376 159.6
[M+Na]+ 257.172318 163.3
[M-H]- 233.175824 156.3
[M+NH4]+ 252.216923 176.2
[M+K]+ 273.146258 163.1
[M+H-H2O]+ 217.180360 154.7
[M+HCOO]- 279.181301 175.8
[M+CH3COO]- 293.196951 190.0
[M+Na-2H]- 255.157766 160.8
[M]+ 234.18255142 163.4
[M]- 234.18364858 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.