CID 62477

Acrolein diethyl acetal

Structural Information

Molecular Formula

C₇H₁₄O₂

SMILES

CCOC(C=C)OCC

InChI

InChI=1S/C7H14O2/c1-4-7(8-5-2)9-6-3/h4,7H,1,5-6H2,2-3H3

InChIKey

MCIPQLOKVXSHTD-UHFFFAOYSA-N

Compound name

3,3-diethoxyprop-1-ene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 2277
Patents: 130.09938 Da
Monoisotopic Mass: 1.4
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]+	131.10666	128.1
[M+Na]+	153.08860	135.1
[M-H]-	129.09210	128.4
[M+NH4]+	148.13320	150.4
[M+K]+	169.06254	135.4
[M+H-H2O]+	113.09664	123.6
[M+HCOO]-	175.09758	151.4
[M+CH3COO]-	189.11323	174.1
[M+Na-2H]-	151.07405	133.6
[M]+	130.09883	131.4
[M]-	130.09993	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe