CID 19775923

2-(vinyloxy)acetic acid

Structural Information

Molecular Formula

C₄H₆O₃

SMILES

C=COCC(=O)O

InChI

InChI=1S/C4H6O3/c1-2-7-3-4(5)6/h2H,1,3H2,(H,5,6)

InChIKey

RPYQPOCMVAEGHP-UHFFFAOYSA-N

Compound name

2-ethenoxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 387
Patents: 102.03169 Da
Monoisotopic Mass: 0.4
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]+	103.038966	116.3
[M+Na]+	125.020908	124.3
[M-H]-	101.024414	115.6
[M+NH4]+	120.065513	138.7
[M+K]+	140.994848	124.3
[M+H-H2O]+	85.028950	112.4
[M+HCOO]-	147.029891	139.4
[M+CH3COO]-	161.045541	163.3
[M+Na-2H]-	123.006356	122.8
[M]+	102.03114142	117.3
[M]-	102.03223858	117.3

Literature stripe

literature stripe

Patent stripe

patents stripe