CID 92210

2-ethyl-4-methyl-1,3-dioxolane

Structural Information

Molecular Formula
C6H12O2
SMILES
CCC1OCC(O1)C
InChI
InChI=1S/C6H12O2/c1-3-6-7-4-5(2)8-6/h5-6H,3-4H2,1-2H3
InChIKey
CSZCLQLJVFLXLI-UHFFFAOYSA-N
Compound name
2-ethyl-4-methyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

239
Patents

116.08373 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.09101 121.7
[M+Na]+ 139.07295 132.7
[M+NH4]+ 134.11755 130.7
[M+K]+ 155.04689 129.8
[M-H]- 115.07645 125.6
[M+Na-2H]- 137.05840 125.6
[M]+ 116.08318 124.3
[M]- 116.08428 124.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe