CID 10725377

4093-49-6

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

COC(/C=C/C=O)OC

InChI

InChI=1S/C6H10O3/c1-8-6(9-2)4-3-5-7/h3-6H,1-2H3/b4-3+

InChIKey

OJFHAFJGQZSFKT-ONEGZZNKSA-N

Compound name

(E)-4,4-dimethoxybut-2-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 130.06299 Da
Monoisotopic Mass: -0.2
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]+	131.07027	124.8
[M+Na]+	153.05221	132.5
[M-H]-	129.05571	125.3
[M+NH4]+	148.09681	147.0
[M+K]+	169.02615	133.0
[M+H-H2O]+	113.06025	120.4
[M+HCOO]-	175.06119	148.9
[M+CH3COO]-	189.07684	171.4
[M+Na-2H]-	151.03766	130.9
[M]+	130.06244	128.4
[M]-	130.06354	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe