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]+ 231.23186 162.5
[M+Na]+ 253.21380 166.1
[M-H]- 229.21730 160.4
[M+NH4]+ 248.25840 180.2
[M+K]+ 269.18774 165.1
[M+H-H2O]+ 213.22184 157.6
[M+HCOO]- 275.22278 179.2
[M+CH3COO]- 289.23843 194.6
[M+Na-2H]- 251.19925 163.0
[M]+ 230.22403 166.1
[M]- 230.22513 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.