CID 34707

5,5-diethyltetrahydro-3-furanol

Structural Information

Molecular Formula
C8H16O2
SMILES
CCC1(CC(CO1)O)CC
InChI
InChI=1S/C8H16O2/c1-3-8(4-2)5-7(9)6-10-8/h7,9H,3-6H2,1-2H3
InChIKey
HXHXCPKOFVYRBD-UHFFFAOYSA-N
Compound name
5,5-diethyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.11504 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 130.9
[M+Na]+ 167.10426 140.6
[M+NH4]+ 162.14886 140.7
[M+K]+ 183.07820 135.6
[M-H]- 143.10776 132.9
[M+Na-2H]- 165.08971 135.6
[M]+ 144.11449 132.8
[M]- 144.11559 132.8
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.