CID 58104777

2551119-75-4

Structural Information

Molecular Formula

C₅H₁₀O₄

SMILES

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

InChI

InChI=1S/C5H10O4/c1-5(3-6,9-2)4(7)8/h6H,3H2,1-2H3,(H,7,8)

InChIKey

MRATYJKCJCIUCZ-UHFFFAOYSA-N

Compound name

3-hydroxy-2-methoxy-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 20
Patents: 134.0579 Da
Monoisotopic Mass: -0.8
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	125.7
[M+Na]+	157.04712	132.9
[M-H]-	133.05062	123.6
[M+NH4]+	152.09172	146.2
[M+K]+	173.02106	133.2
[M+H-H2O]+	117.05516	122.1
[M+HCOO]-	179.05610	145.4
[M+CH3COO]-	193.07175	167.1
[M+Na-2H]-	155.03257	131.8
[M]+	134.05735	126.8
[M]-	134.05845	126.8

Literature stripe

literature stripe

Patent stripe

patents stripe