CID 34713

29839-56-3

Structural Information

Molecular Formula
C14H28O2
SMILES
CCCCCCCCCC1(CC(CO1)O)C
InChI
InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-14(2)11-13(15)12-16-14/h13,15H,3-12H2,1-2H3
InChIKey
SJPBBWQRVUAZJB-UHFFFAOYSA-N
Compound name
5-methyl-5-nonyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.20892 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.216196 158.1
[M+Na]+ 251.198138 162.7
[M-H]- 227.201644 159.8
[M+NH4]+ 246.242743 178.2
[M+K]+ 267.172078 161.3
[M+H-H2O]+ 211.206180 153.4
[M+HCOO]- 273.207121 176.8
[M+CH3COO]- 287.222771 189.2
[M+Na-2H]- 249.183586 160.5
[M]+ 228.20837142 159.9
[M]- 228.20946858 159.9
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.