CID 11094663

30450-85-2

Structural Information

Molecular Formula

C₄H₆O₅

SMILES

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

InChI

InChI=1S/C4H6O5/c5-1-4(8)9-2-3(6)7/h5H,1-2H2,(H,6,7)

InChIKey

NYCQHRWCDWJIEG-UHFFFAOYSA-N

Compound name

2-(2-hydroxyacetyl)oxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 309
Patents: 134.02153 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]+	135.028806	122.8
[M+Na]+	157.010748	130.0
[M-H]-	133.014254	120.6
[M+NH4]+	152.055353	143.0
[M+K]+	172.984688	130.5
[M+H-H2O]+	117.018790	118.5
[M+HCOO]-	179.019731	143.8
[M+CH3COO]-	193.035381	165.2
[M+Na-2H]-	154.996196	127.4
[M]+	134.02098142	124.0
[M]-	134.02207858	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe