CID 34715

3-ethyl-2,2,5-trimethyltetrahydrofuran-3-ol

Structural Information

Molecular Formula
C9H18O2
SMILES
CCC1(CC(OC1(C)C)C)O
InChI
InChI=1S/C9H18O2/c1-5-9(10)6-7(2)11-8(9,3)4/h7,10H,5-6H2,1-4H3
InChIKey
KRIRCZNVMJAGJY-UHFFFAOYSA-N
Compound name
3-ethyl-2,2,5-trimethyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.13068 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.13796 131.1
[M+Na]+ 181.11990 139.7
[M-H]- 157.12340 134.6
[M+NH4]+ 176.16450 156.5
[M+K]+ 197.09384 139.8
[M+H-H2O]+ 141.12794 128.9
[M+HCOO]- 203.12888 151.5
[M+CH3COO]- 217.14453 175.1
[M+Na-2H]- 179.10535 137.3
[M]+ 158.13013 132.0
[M]- 158.13123 132.0
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.