CID 34716

5,5-dimethyl-2-ethyltetrahydro-3-furanol

Structural Information

Molecular Formula
C8H16O2
SMILES
CCC1C(CC(O1)(C)C)O
InChI
InChI=1S/C8H16O2/c1-4-7-6(9)5-8(2,3)10-7/h6-7,9H,4-5H2,1-3H3
InChIKey
YKCGOADDFIPXPB-UHFFFAOYSA-N
Compound name
2-ethyl-5,5-dimethyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

144.11504 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 129.4
[M+Na]+ 167.10426 137.4
[M-H]- 143.10776 132.6
[M+NH4]+ 162.14886 153.2
[M+K]+ 183.07820 137.5
[M+H-H2O]+ 127.11230 126.2
[M+HCOO]- 189.11324 150.1
[M+CH3COO]- 203.12889 172.3
[M+Na-2H]- 165.08971 134.5
[M]+ 144.11449 129.4
[M]- 144.11559 129.4
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

patents stripe