CID 35968

2,2-diethyl-5-methyltetrahydrofuran-3,4-diol

Structural Information

Molecular Formula
C9H18O3
SMILES
CCC1(C(C(C(O1)C)O)O)CC
InChI
InChI=1S/C9H18O3/c1-4-9(5-2)8(11)7(10)6(3)12-9/h6-8,10-11H,4-5H2,1-3H3
InChIKey
VLARUIVWYZUTDG-UHFFFAOYSA-N
Compound name
2,2-diethyl-5-methyloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.1256 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.13288 137.0
[M+Na]+ 197.11482 145.0
[M-H]- 173.11832 138.9
[M+NH4]+ 192.15942 159.1
[M+K]+ 213.08876 144.4
[M+H-H2O]+ 157.12286 134.0
[M+HCOO]- 219.12380 156.0
[M+CH3COO]- 233.13945 176.1
[M+Na-2H]- 195.10027 140.6
[M]+ 174.12505 137.4
[M]- 174.12615 137.4
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

No patent data available for this compound.