CID 14281430

23012-13-7

Structural Information

Molecular Formula

SMILES

C1=C(N=CO1)C(=O)O

InChI

InChI=1S/C4H3NO3/c6-4(7)3-1-8-2-5-3/h1-2H,(H,6,7)

InChIKey

JBCFJMYPJJWIRG-UHFFFAOYSA-N

Compound name

1,3-oxazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2143
Patents: 113.01129 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]+	114.018566	116.0
[M+Na]+	136.000508	125.0
[M-H]-	112.004014	118.1
[M+NH4]+	131.045113	137.0
[M+K]+	151.974448	125.9
[M+H-H2O]+	96.008550	110.7
[M+HCOO]-	158.009491	139.1
[M+CH3COO]-	172.025141	162.2
[M+Na-2H]-	133.985956	123.8
[M]+	113.01074142	117.0
[M]-	113.01183858	117.0

Literature stripe

literature stripe

Patent stripe

patents stripe