CID 23195

5,5-diethyl-2-methyltetrahydro-3-furanol

Structural Information

Molecular Formula
C9H18O2
SMILES
CCC1(CC(C(O1)C)O)CC
InChI
InChI=1S/C9H18O2/c1-4-9(5-2)6-8(10)7(3)11-9/h7-8,10H,4-6H2,1-3H3
InChIKey
URLNHEUJWAZINR-UHFFFAOYSA-N
Compound name
5,5-diethyl-2-methyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.13068 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.13796 134.6
[M+Na]+ 181.11990 144.5
[M+NH4]+ 176.16450 144.2
[M+K]+ 197.09384 139.5
[M-H]- 157.12340 136.6
[M+Na-2H]- 179.10535 138.9
[M]+ 158.13013 136.5
[M]- 158.13123 136.5
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

No patent data available for this compound.