CID 111478

Einecs 273-408-1

Structural Information

Molecular Formula
C14H30O5
SMILES
CC(C)C(C(C)(C)COCCOCCO)OCCO
InChI
InChI=1S/C14H30O5/c1-12(2)13(19-8-6-16)14(3,4)11-18-10-9-17-7-5-15/h12-13,15-16H,5-11H2,1-4H3
InChIKey
PSYZTTIDPMAIDA-UHFFFAOYSA-N
Compound name
2-[2-[3-(2-hydroxyethoxy)-2,2,4-trimethylpentoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.20932 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.21660 171.2
[M+Na]+ 301.19854 174.0
[M-H]- 277.20204 167.5
[M+NH4]+ 296.24314 185.9
[M+K]+ 317.17248 173.8
[M+H-H2O]+ 261.20658 165.7
[M+HCOO]- 323.20752 187.0
[M+CH3COO]- 337.22317 198.0
[M+Na-2H]- 299.18399 171.5
[M]+ 278.20877 177.2
[M]- 278.20987 177.2
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.