CID 22607070

O-dihydroxethoxyacetate

Structural Information

Molecular Formula

C₄H₈O₅

SMILES

C(COC(C(=O)O)O)O

InChI

InChI=1S/C4H8O5/c5-1-2-9-4(8)3(6)7/h4-5,8H,1-2H2,(H,6,7)

InChIKey

LGSBQUSNSQFXGC-UHFFFAOYSA-N

Compound name

2-hydroxy-2-(2-hydroxyethoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 30
Patents: 136.03717 Da
Monoisotopic Mass: -1.6
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]+	137.04445	125.3
[M+Na]+	159.02639	132.6
[M+NH4]+	154.07099	130.5
[M+K]+	175.00033	131.2
[M-H]-	135.02989	121.0
[M+Na-2H]-	157.01184	125.9
[M]+	136.03662	124.5
[M]-	136.03772	124.5

Literature stripe

literature stripe

Patent stripe

patents stripe