CID 3084868

3-ethoxymethacrolein

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CCO/C=C(\C)/C=O

InChI

InChI=1S/C6H10O2/c1-3-8-5-6(2)4-7/h4-5H,3H2,1-2H3/b6-5+

InChIKey

KDOAHVPFGIYCEU-AATRIKPKSA-N

Compound name

(E)-3-ethoxy-2-methylprop-2-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 294
Patents: 114.06808 Da
Monoisotopic Mass: 0.7
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]+	115.07536	123.2
[M+Na]+	137.05730	133.6
[M+NH4]+	132.10190	130.8
[M+K]+	153.03124	128.3
[M-H]-	113.06080	122.1
[M+Na-2H]-	135.04275	126.8
[M]+	114.06753	124.1
[M]-	114.06863	124.1

Literature stripe

literature stripe

Patent stripe

patents stripe