CID 24982

60828-78-6

Structural Information

Molecular Formula
C14H30O2
SMILES
CC(C)CC(C)CC(CC(C)C)OCCO
InChI
InChI=1S/C14H30O2/c1-11(2)8-13(5)10-14(9-12(3)4)16-7-6-15/h11-15H,6-10H2,1-5H3
InChIKey
VKKFWRYCMZBXIG-UHFFFAOYSA-N
Compound name
2-(2,6,8-trimethylnonan-4-yloxy)ethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

92
Patents

230.22458 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.23186 163.8
[M+Na]+ 253.21380 166.5
[M-H]- 229.21730 161.6
[M+NH4]+ 248.25840 181.2
[M+K]+ 269.18774 166.1
[M+H-H2O]+ 213.22184 158.3
[M+HCOO]- 275.22278 180.0
[M+CH3COO]- 289.23843 196.0
[M+Na-2H]- 251.19925 161.0
[M]+ 230.22403 166.5
[M]- 230.22513 166.5
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

patents stripe