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: 1206
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]+	103.03897	112.3
[M+Na]+	125.02091	118.0
[M-H]-	101.02441	115.4
[M+NH4]+	120.06551	126.7
[M+K]+	140.99485	122.6
[M+H-H2O]+	85.028950	102.9
[M+HCOO]-	147.02989	132.6
[M+CH3COO]-	161.04554	166.2
[M+Na-2H]-	123.00636	119.7
[M]+	102.03114	120.3
[M]-	102.03224	120.3

Literature stripe

literature stripe

Patent stripe

patents stripe