CID 78501

2,2-bis(hydroxymethyl)propionic acid

Structural Information

Molecular Formula

C₅H₁₀O₄

SMILES

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

InChI

InChI=1S/C5H10O4/c1-5(2-6,3-7)4(8)9/h6-7H,2-3H2,1H3,(H,8,9)

InChIKey

PTBDIHRZYDMNKB-UHFFFAOYSA-N

Compound name

3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 59
References: 52393
Patents: 134.0579 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]+	135.06518	126.2
[M+Na]+	157.04712	133.8
[M+NH4]+	152.09172	131.8
[M+K]+	173.02106	132.2
[M-H]-	133.05062	122.1
[M+Na-2H]-	155.03257	127.3
[M]+	134.05735	125.7
[M]-	134.05845	125.7

Literature stripe

literature stripe

Patent stripe

patents stripe