CID 20371877

2169861-24-7

Structural Information

Molecular Formula

C₆H₆O₆

SMILES

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

InChI

InChI=1S/C6H6O6/c7-4(8)1-2-6(11)12-3-5(9)10/h1-2H,3H2,(H,7,8)(H,9,10)/b2-1+

InChIKey

SELBYDWAQZQFQB-OWOJBTEDSA-N

Compound name

(E)-4-(carboxymethoxy)-4-oxobut-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 174.01643 Da
Monoisotopic Mass: -0.5
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]+	175.02371	134.5
[M+Na]+	197.00565	141.3
[M+NH4]+	192.05025	138.2
[M+K]+	212.97959	140.2
[M-H]-	173.00915	129.2
[M+Na-2H]-	194.99110	134.0
[M]+	174.01588	133.1
[M]-	174.01698	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe