CID 544710

80956-52-1

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: 76
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]+	143.07027	126.7
[M+Na]+	165.05221	137.5
[M+NH4]+	160.09681	135.8
[M+K]+	181.02615	133.4
[M-H]-	141.05571	129.6
[M+Na-2H]-	163.03766	131.0
[M]+	142.06244	129.0
[M]-	142.06354	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe