CID 221634

5413-49-0

Structural Information

Molecular Formula

C₁₀H₁₈O₄

SMILES

CCOC(=O)CCC1(OCC(O1)C)C

InChI

InChI=1S/C10H18O4/c1-4-12-9(11)5-6-10(3)13-7-8(2)14-10/h8H,4-7H2,1-3H3

InChIKey

IAZAUEBWBHMDGV-UHFFFAOYSA-N

Compound name

ethyl 3-(2,4-dimethyl-1,3-dioxolan-2-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 41
Patents: 202.12051 Da
Monoisotopic Mass: 1.0
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]+	203.12779	144.7
[M+Na]+	225.10973	153.6
[M+NH4]+	220.15433	152.8
[M+K]+	241.08367	150.0
[M-H]-	201.11323	146.8
[M+Na-2H]-	223.09518	147.6
[M]+	202.11996	146.5
[M]-	202.12106	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe