CID 55303669

2-cyclopropoxyacetic acid

Structural Information

Molecular Formula

C₅H₈O₃

SMILES

C1CC1OCC(=O)O

InChI

InChI=1S/C5H8O3/c6-5(7)3-8-4-1-2-4/h4H,1-3H2,(H,6,7)

InChIKey

KMWUDQCOBHVOGJ-UHFFFAOYSA-N

Compound name

2-cyclopropyloxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 116.04734 Da
Monoisotopic Mass: 0.2
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]+	117.05462	121.5
[M+Na]+	139.03656	130.7
[M-H]-	115.04006	125.1
[M+NH4]+	134.08116	138.5
[M+K]+	155.01050	129.4
[M+H-H2O]+	99.044600	116.2
[M+HCOO]-	161.04554	144.4
[M+CH3COO]-	175.06119	169.7
[M+Na-2H]-	137.02201	128.0
[M]+	116.04679	124.8
[M]-	116.04789	124.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe