CID 19847174

Oxetane-3-carboxylic acid

Structural Information

Molecular Formula

C₄H₆O₃

SMILES

C1C(CO1)C(=O)O

InChI

InChI=1S/C4H6O3/c5-4(6)3-1-7-2-3/h3H,1-2H2,(H,5,6)

InChIKey

UWOTZNQZPLAURK-UHFFFAOYSA-N

Compound name

oxetane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1034
Patents: 102.03169 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]+	103.038966	112.3
[M+Na]+	125.020908	118.0
[M-H]-	101.024414	115.4
[M+NH4]+	120.065513	126.7
[M+K]+	140.994848	122.6
[M+H-H2O]+	85.028950	102.9
[M+HCOO]-	147.029891	132.6
[M+CH3COO]-	161.045541	166.2
[M+Na-2H]-	123.006356	119.7
[M]+	102.03114142	120.3
[M]-	102.03223858	120.3

Literature stripe

literature stripe

Patent stripe

patents stripe