CID 107282

4-ethyl-1,3-dioxolan-2-one

Structural Information

Molecular Formula
C5H8O3
SMILES
CCC1COC(=O)O1
InChI
InChI=1S/C5H8O3/c1-2-4-3-7-5(6)8-4/h4H,2-3H2,1H3
InChIKey
ZZXUZKXVROWEIF-UHFFFAOYSA-N
Compound name
4-ethyl-1,3-dioxolan-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

15617
Patents

116.04734 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.05462 118.7
[M+Na]+ 139.03656 126.9
[M-H]- 115.04006 123.7
[M+NH4]+ 134.08116 140.6
[M+K]+ 155.01050 129.3
[M+H-H2O]+ 99.044600 114.7
[M+HCOO]- 161.04554 141.4
[M+CH3COO]- 175.06119 166.4
[M+Na-2H]- 137.02201 126.3
[M]+ 116.04679 120.2
[M]- 116.04789 120.2
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