CID 34713

5-methyl-5-nonyltetrahydro-3-furanol

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]+ 229.21620 158.1
[M+Na]+ 251.19814 162.7
[M-H]- 227.20164 159.8
[M+NH4]+ 246.24274 178.2
[M+K]+ 267.17208 161.3
[M+H-H2O]+ 211.20618 153.4
[M+HCOO]- 273.20712 176.8
[M+CH3COO]- 287.22277 189.2
[M+Na-2H]- 249.18359 160.5
[M]+ 228.20837 159.9
[M]- 228.20947 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.