CID 10997006

2-(prop-2-en-1-yloxy)acetic acid

Structural Information

Molecular Formula

C₅H₈O₃

SMILES

C=CCOCC(=O)O

InChI

InChI=1S/C5H8O3/c1-2-3-8-4-5(6)7/h2H,1,3-4H2,(H,6,7)

InChIKey

QXWUJRONCAPLLL-UHFFFAOYSA-N

Compound name

2-prop-2-enoxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1111
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	121.0
[M+Na]+	139.03656	128.5
[M-H]-	115.04006	120.1
[M+NH4]+	134.08116	142.8
[M+K]+	155.01050	128.3
[M+H-H2O]+	99.044600	116.9
[M+HCOO]-	161.04554	143.8
[M+CH3COO]-	175.06119	166.4
[M+Na-2H]-	137.02201	126.9
[M]+	116.04679	122.3
[M]-	116.04789	122.3

Literature stripe

literature stripe

Patent stripe

patents stripe