CID 536145

4-ethoxy-2-butanone

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

CCOCCC(=O)C

InChI

InChI=1S/C6H12O2/c1-3-8-5-4-6(2)7/h3-5H2,1-2H3

InChIKey

YFBGSHHKHHCVDI-UHFFFAOYSA-N

Compound name

4-ethoxybutan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 398
Patents: 116.08373 Da
Monoisotopic Mass: 0.1
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	123.6
[M+Na]+	139.07295	134.0
[M+NH4]+	134.11755	131.5
[M+K]+	155.04689	128.8
[M-H]-	115.07645	122.8
[M+Na-2H]-	137.05840	127.4
[M]+	116.08318	124.6
[M]-	116.08428	124.6

Literature stripe

literature stripe

Patent stripe

patents stripe