CID 13066122

Ethyl (3e)-4-methoxy-2-oxopent-3-enoate

Structural Information

Molecular Formula

C₈H₁₂O₄

SMILES

CCOC(=O)C(=O)/C=C(\C)/OC

InChI

InChI=1S/C8H12O4/c1-4-12-8(10)7(9)5-6(2)11-3/h5H,4H2,1-3H3/b6-5+

InChIKey

QQTWBKLZHTXDCM-AATRIKPKSA-N

Compound name

ethyl (E)-4-methoxy-2-oxopent-3-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 172.07356 Da
Monoisotopic Mass: 0.9
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]+	173.08084	137.3
[M+Na]+	195.06278	145.7
[M+NH4]+	190.10738	142.8
[M+K]+	211.03672	142.6
[M-H]-	171.06628	134.3
[M+Na-2H]-	193.04823	138.6
[M]+	172.07301	137.1
[M]-	172.07411	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe