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: 85
Patents: 142.06299 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	143.070266	123.5
[M+Na]+	165.052208	133.0
[M-H]-	141.055714	129.0
[M+NH4]+	160.096813	146.6
[M+K]+	181.026148	134.5
[M+H-H2O]+	125.060250	120.6
[M+HCOO]-	187.061191	145.7
[M+CH3COO]-	201.076841	172.4
[M+Na-2H]-	163.037656	130.9
[M]+	142.06244142	125.8
[M]-	142.06353858	125.8

Literature stripe

literature stripe

Patent stripe

patents stripe