CID 5354457

Monoethyl maleate

Structural Information

Molecular Formula

C₆H₈O₄

SMILES

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

InChI

InChI=1S/C6H8O4/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3,(H,7,8)/b4-3-

InChIKey

XLYMOEINVGRTEX-ARJAWSKDSA-N

Compound name

(Z)-4-ethoxy-4-oxobut-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 781
References: 33319
Patents: 144.04225 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]+	145.049526	127.3
[M+Na]+	167.031468	134.6
[M-H]-	143.034974	126.4
[M+NH4]+	162.076073	148.0
[M+K]+	183.005408	134.5
[M+H-H2O]+	127.039510	123.0
[M+HCOO]-	189.040451	149.2
[M+CH3COO]-	203.056101	170.1
[M+Na-2H]-	165.016916	131.5
[M]+	144.04170142	129.0
[M]-	144.04279858	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe