CID 137741

2840-69-9

Structural Information

Molecular Formula

C₈H₁₂O₃

SMILES

CCC1(CC(=O)OC1=O)CC

InChI

InChI=1S/C8H12O3/c1-3-8(4-2)5-6(9)11-7(8)10/h3-5H2,1-2H3

InChIKey

LIBJDZLMEPZABX-UHFFFAOYSA-N

Compound name

3,3-diethyloxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 156.07864 Da
Monoisotopic Mass: 1.2
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]+	157.08592	131.7
[M+Na]+	179.06786	142.0
[M+NH4]+	174.11246	140.8
[M+K]+	195.04180	137.2
[M-H]-	155.07136	133.2
[M+Na-2H]-	177.05331	136.2
[M]+	156.07809	133.5
[M]-	156.07919	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe