CID 544710

4-ethyl-4-methyl-5-methylene-1,3-dioxolan-2-one

Structural Information

Molecular Formula
C7H10O3
SMILES
CCC1(C(=C)OC(=O)O1)C
InChI
InChI=1S/C7H10O3/c1-4-7(3)5(2)9-6(8)10-7/h2,4H2,1,3H3
InChIKey
NZNQXRMOAPYWRJ-UHFFFAOYSA-N
Compound name
4-ethyl-4-methyl-5-methylidene-1,3-dioxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

142.06299 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 123.5
[M+Na]+ 165.05221 133.0
[M-H]- 141.05571 129.0
[M+NH4]+ 160.09681 146.6
[M+K]+ 181.02615 134.5
[M+H-H2O]+ 125.06025 120.6
[M+HCOO]- 187.06119 145.7
[M+CH3COO]- 201.07684 172.4
[M+Na-2H]- 163.03766 130.9
[M]+ 142.06244 125.8
[M]- 142.06354 125.8
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