CID 85840294

4-(ethoxymethyl)-2-ethyl-1,3-dioxolane

Structural Information

Molecular Formula
C8H16O3
SMILES
CCC1OCC(O1)COCC
InChI
InChI=1S/C8H16O3/c1-3-8-10-6-7(11-8)5-9-4-2/h7-8H,3-6H2,1-2H3
InChIKey
UENTWPIJTJEEFR-UHFFFAOYSA-N
Compound name
4-(ethoxymethyl)-2-ethyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

160.10994 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.11722 134.5
[M+Na]+ 183.09916 141.1
[M-H]- 159.10266 138.9
[M+NH4]+ 178.14376 154.7
[M+K]+ 199.07310 143.4
[M+H-H2O]+ 143.10720 129.8
[M+HCOO]- 205.10814 155.9
[M+CH3COO]- 219.12379 176.4
[M+Na-2H]- 181.08461 140.4
[M]+ 160.10939 137.8
[M]- 160.11049 137.8
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