CID 100383

2-propoxyacetic acid

Structural Information

Molecular Formula

C₅H₁₀O₃

SMILES

CCCOCC(=O)O

InChI

InChI=1S/C5H10O3/c1-2-3-8-4-5(6)7/h2-4H2,1H3,(H,6,7)

InChIKey

SGUYGLMQEOSQTH-UHFFFAOYSA-N

Compound name

2-propoxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1130
Patents: 118.062996 Da
Monoisotopic Mass: 0.6
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]+	119.07027	122.6
[M+Na]+	141.05221	129.8
[M-H]-	117.05572	121.7
[M+NH4]+	136.09682	144.5
[M+K]+	157.02615	130.2
[M+H-H2O]+	101.06026	118.4
[M+HCOO]-	163.06120	145.2
[M+CH3COO]-	177.07685	167.3
[M+Na-2H]-	139.03766	128.5
[M]+	118.06245	124.6
[M]-	118.06354	124.6

Literature stripe

literature stripe

Patent stripe

patents stripe