CID 18415010

99116-11-7

Structural Information

Molecular Formula

C₆H₁₂O₄

SMILES

CCOC(=O)C(CO)CO

InChI

InChI=1S/C6H12O4/c1-2-10-6(9)5(3-7)4-8/h5,7-8H,2-4H2,1H3

InChIKey

UZRACXKIJYYHCD-UHFFFAOYSA-N

Compound name

ethyl 3-hydroxy-2-(hydroxymethyl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 217
Patents: 148.07356 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]+	149.08084	130.9
[M+Na]+	171.06278	138.9
[M+NH4]+	166.10738	136.8
[M+K]+	187.03672	136.2
[M-H]-	147.06628	127.7
[M+Na-2H]-	169.04823	132.1
[M]+	148.07301	130.6
[M]-	148.07411	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe