CID 35968

31889-35-7

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]+ 175.132876 137.0
[M+Na]+ 197.114818 145.0
[M-H]- 173.118324 138.9
[M+NH4]+ 192.159423 159.1
[M+K]+ 213.088758 144.4
[M+H-H2O]+ 157.122860 134.0
[M+HCOO]- 219.123801 156.0
[M+CH3COO]- 233.139451 176.1
[M+Na-2H]- 195.100266 140.6
[M]+ 174.12505142 137.4
[M]- 174.12614858 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.