CID 367488

15725-26-5

Structural Information

Molecular Formula

C₁₄H₁₆O₄

SMILES

CCOC(=O)C(=CC1=CC=C(C=C1)OC)C(=O)C

InChI

InChI=1S/C14H16O4/c1-4-18-14(16)13(10(2)15)9-11-5-7-12(17-3)8-6-11/h5-9H,4H2,1-3H3

InChIKey

MXDVNECCWOURRH-UHFFFAOYSA-N

Compound name

ethyl 2-[(4-methoxyphenyl)methylidene]-3-oxobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 248.10486 Da
Monoisotopic Mass: 2.5
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]+	249.11214	156.2
[M+Na]+	271.09408	166.7
[M+NH4]+	266.13868	162.1
[M+K]+	287.06802	162.0
[M-H]-	247.09758	156.0
[M+Na-2H]-	269.07953	160.2
[M]+	248.10431	157.3
[M]-	248.10541	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe