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
2
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]+ 279.216596 171.2
[M+Na]+ 301.198538 174.0
[M-H]- 277.202044 167.5
[M+NH4]+ 296.243143 185.9
[M+K]+ 317.172478 173.8
[M+H-H2O]+ 261.206580 165.7
[M+HCOO]- 323.207521 187.0
[M+CH3COO]- 337.223171 198.0
[M+Na-2H]- 299.183986 171.5
[M]+ 278.20877142 177.2
[M]- 278.20986858 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.