CID 34707

3-furanol, tetrahydro-5,5-diethyl-

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]+ 145.122316 130.5
[M+Na]+ 167.104258 137.6
[M-H]- 143.107764 133.3
[M+NH4]+ 162.148863 154.0
[M+K]+ 183.078198 137.7
[M+H-H2O]+ 127.112300 126.9
[M+HCOO]- 189.113241 151.2
[M+CH3COO]- 203.128891 171.1
[M+Na-2H]- 165.089706 136.2
[M]+ 144.11449142 130.1
[M]- 144.11558858 130.1
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.