CID 36681

34128-01-3

Structural Information

Molecular Formula

C₆H₈O₇

SMILES

C(C(C(=O)O)OCC(=O)O)C(=O)O

InChI

InChI=1S/C6H8O7/c7-4(8)1-3(6(11)12)13-2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

CIOXZGOUEYHNBF-UHFFFAOYSA-N

Compound name

2-(carboxymethoxy)butanedioic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 15991
Patents: 192.02701 Da
Monoisotopic Mass: -1.2
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]+	193.03429	137.8
[M+Na]+	215.01623	143.1
[M+NH4]+	210.06083	140.6
[M+K]+	230.99017	143.9
[M-H]-	191.01973	131.4
[M+Na-2H]-	213.00168	136.0
[M]+	192.02646	135.8
[M]-	192.02756	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe