CID 642418

4485-98-7

Structural Information

Molecular Formula

SMILES

C1CON=C1C(=O)O

InChI

InChI=1S/C4H5NO3/c6-4(7)3-1-2-8-5-3/h1-2H2,(H,6,7)

InChIKey

ZYDBNGULYNHMSF-UHFFFAOYSA-N

Compound name

4,5-dihydro-1,2-oxazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 230
Patents: 115.02694 Da
Monoisotopic Mass: -0.2
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]+	116.03422	119.5
[M+Na]+	138.01616	129.4
[M+NH4]+	133.06076	126.7
[M+K]+	153.99010	128.1
[M-H]-	114.01966	119.8
[M+Na-2H]-	136.00161	123.2
[M]+	115.02639	120.6
[M]-	115.02749	120.6

Literature stripe

literature stripe

Patent stripe

patents stripe