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
4
Annotation Hits

3
References

233
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 122.1
[M+Na]+ 139.07295 129.6
[M-H]- 115.07645 126.8
[M+NH4]+ 134.11755 144.0
[M+K]+ 155.04689 131.9
[M+H-H2O]+ 99.080990 117.9
[M+HCOO]- 161.08193 143.9
[M+CH3COO]- 175.09758 168.3
[M+Na-2H]- 137.05840 129.0
[M]+ 116.08318 123.1
[M]- 116.08428 123.1
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