CID 4661317

89364-31-8

Structural Information

Molecular Formula

C₅H₈O₃

SMILES

C1COCC1C(=O)O

InChI

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

InChIKey

BOTREHHXSQGWTR-UHFFFAOYSA-N

Compound name

oxolane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2782
Patents: 116.04734 Da
Monoisotopic Mass: -0.3
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]+	117.05462	121.5
[M+Na]+	139.03656	130.5
[M+NH4]+	134.08116	129.3
[M+K]+	155.01050	128.9
[M-H]-	115.04006	122.5
[M+Na-2H]-	137.02201	124.6
[M]+	116.04679	122.7
[M]-	116.04789	122.7

Literature stripe

literature stripe

Patent stripe

patents stripe