CID 75478875

Ethyl 2-(2,2,5,5-tetramethyloxolan-3-yl)acetate

Structural Information

Molecular Formula

C₁₂H₂₂O₃

SMILES

CCOC(=O)CC1CC(OC1(C)C)(C)C

InChI

InChI=1S/C12H22O3/c1-6-14-10(13)7-9-8-11(2,3)15-12(9,4)5/h9H,6-8H2,1-5H3

InChIKey

IPVBSPQFHKAZPQ-UHFFFAOYSA-N

Compound name

ethyl 2-(2,2,5,5-tetramethyloxolan-3-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.15689 Da
Monoisotopic Mass: 1.9
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]+	215.164166	145.7
[M+Na]+	237.146108	153.5
[M-H]-	213.149614	150.1
[M+NH4]+	232.190713	169.4
[M+K]+	253.120048	154.2
[M+H-H2O]+	197.154150	142.9
[M+HCOO]-	259.155091	166.1
[M+CH3COO]-	273.170741	188.1
[M+Na-2H]-	235.131556	149.7
[M]+	214.15634142	149.6
[M]-	214.15743858	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.