CID 165765006

2-ethoxy-2-(oxan-4-yl)ethan-1-ol

Structural Information

Molecular Formula
C9H18O3
SMILES
CCOC(CO)C1CCOCC1
InChI
InChI=1S/C9H18O3/c1-2-12-9(7-10)8-3-5-11-6-4-8/h8-10H,2-7H2,1H3
InChIKey
GMGBJNQJECYZML-UHFFFAOYSA-N
Compound name
2-ethoxy-2-(oxan-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.1256 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.132876 140.1
[M+Na]+ 197.114818 143.6
[M-H]- 173.118324 141.8
[M+NH4]+ 192.159423 158.0
[M+K]+ 213.088758 144.4
[M+H-H2O]+ 157.122860 134.3
[M+HCOO]- 219.123801 157.5
[M+CH3COO]- 233.139451 176.6
[M+Na-2H]- 195.100266 144.5
[M]+ 174.12505142 138.1
[M]- 174.12614858 138.1
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.