CID 34709

5-methyl-5-propyltetrahydro-3-furanol

Structural Information

Molecular Formula
C8H16O2
SMILES
CCCC1(CC(CO1)O)C
InChI
InChI=1S/C8H16O2/c1-3-4-8(2)5-7(9)6-10-8/h7,9H,3-6H2,1-2H3
InChIKey
VWZROJWIDGHRRX-UHFFFAOYSA-N
Compound name
5-methyl-5-propyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.11504 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 130.5
[M+Na]+ 167.10426 137.6
[M-H]- 143.10776 133.3
[M+NH4]+ 162.14886 154.0
[M+K]+ 183.07820 137.7
[M+H-H2O]+ 127.11230 126.9
[M+HCOO]- 189.11324 151.2
[M+CH3COO]- 203.12889 171.1
[M+Na-2H]- 165.08971 136.2
[M]+ 144.11449 130.1
[M]- 144.11559 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.