CID 21817604

16401-14-2

Structural Information

Molecular Formula

SMILES

C1=C(ON=C1)C=O

InChI

InChI=1S/C4H3NO2/c6-3-4-1-2-5-7-4/h1-3H

InChIKey

GSIPOZWLYGLXDM-UHFFFAOYSA-N

Compound name

1,2-oxazole-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 592
Patents: 97.01638 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]+	98.023656	111.6
[M+Na]+	120.005598	121.4
[M-H]-	96.009104	115.0
[M+NH4]+	115.050203	134.1
[M+K]+	135.979538	122.4
[M+H-H2O]+	80.013640	106.2
[M+HCOO]-	142.014581	137.0
[M+CH3COO]-	156.030231	162.0
[M+Na-2H]-	117.991046	121.2
[M]+	97.01583142	113.7
[M]-	97.01692858	113.7

Literature stripe

literature stripe

Patent stripe

patents stripe