CID 92209

2-methoxypropanoic acid

Structural Information

Molecular Formula

C₄H₈O₃

SMILES

CC(C(=O)O)OC

InChI

InChI=1S/C4H8O3/c1-3(7-2)4(5)6/h3H,1-2H3,(H,5,6)

InChIKey

ICPWFHKNYYRBSZ-UHFFFAOYSA-N

Compound name

2-methoxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 4030
Patents: 104.04734 Da
Monoisotopic Mass: 0.1
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]+	105.054616	118.1
[M+Na]+	127.036558	125.5
[M-H]-	103.040064	117.5
[M+NH4]+	122.081163	140.4
[M+K]+	143.010498	126.6
[M+H-H2O]+	87.044600	114.1
[M+HCOO]-	149.045541	140.0
[M+CH3COO]-	163.061191	165.2
[M+Na-2H]-	125.022006	123.2
[M]+	104.04679142	119.0
[M]-	104.04788858	119.0

Literature stripe

literature stripe

Patent stripe

patents stripe