CID 92036233

61702-78-1

Structural Information

Molecular Formula
C14H30O2
SMILES
CCCC(C)CC(C)(CC(C)C)OCCO
InChI
InChI=1S/C14H30O2/c1-6-7-13(4)11-14(5,10-12(2)3)16-9-8-15/h12-13,15H,6-11H2,1-5H3
InChIKey
FHHQTJMVJGODCV-UHFFFAOYSA-N
Compound name
2-(2,4,6-trimethylnonan-4-yloxy)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

230.22458 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.231856 162.5
[M+Na]+ 253.213798 166.1
[M-H]- 229.217304 160.4
[M+NH4]+ 248.258403 180.2
[M+K]+ 269.187738 165.1
[M+H-H2O]+ 213.221840 157.6
[M+HCOO]- 275.222781 179.2
[M+CH3COO]- 289.238431 194.6
[M+Na-2H]- 251.199246 163.0
[M]+ 230.22403142 166.1
[M]- 230.22512858 166.1
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.