CID 92210

2-ethyl-4-methyl-1,3-dioxolane

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

CCC1OCC(O1)C

InChI

InChI=1S/C6H12O2/c1-3-6-7-4-5(2)8-6/h5-6H,3-4H2,1-2H3

InChIKey

CSZCLQLJVFLXLI-UHFFFAOYSA-N

Compound name

2-ethyl-4-methyl-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 232
Patents: 116.08373 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]+	117.09101	122.1
[M+Na]+	139.07295	129.6
[M-H]-	115.07645	126.8
[M+NH4]+	134.11755	144.0
[M+K]+	155.04689	131.9
[M+H-H2O]+	99.080990	117.9
[M+HCOO]-	161.08193	143.9
[M+CH3COO]-	175.09758	168.3
[M+Na-2H]-	137.05840	129.0
[M]+	116.08318	123.1
[M]-	116.08428	123.1

Literature stripe

literature stripe

Patent stripe

patents stripe