CID 560781

21620-60-0

Structural Information

Molecular Formula

C₄H₈O₄

SMILES

CC(CO)(C(=O)O)O

InChI

InChI=1S/C4H8O4/c1-4(8,2-5)3(6)7/h5,8H,2H2,1H3,(H,6,7)

InChIKey

DGADNPLBVRLJGD-UHFFFAOYSA-N

Compound name

2,3-dihydroxy-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 10
References: 699
Patents: 120.04226 Da
Monoisotopic Mass: -1.3
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]+	121.04954	121.9
[M+Na]+	143.03148	129.7
[M+NH4]+	138.07608	127.6
[M+K]+	159.00542	128.2
[M-H]-	119.03498	117.7
[M+Na-2H]-	141.01693	123.2
[M]+	120.04171	121.3
[M]-	120.04281	121.3

Literature stripe

literature stripe

Patent stripe

patents stripe