CID 58884863

Schembl14491143

Structural Information

Molecular Formula

SMILES

CCC1=COC(=N1)C=O

InChI

InChI=1S/C6H7NO2/c1-2-5-4-9-6(3-8)7-5/h3-4H,2H2,1H3

InChIKey

NTBDUELOCYUWAZ-UHFFFAOYSA-N

Compound name

4-ethyl-1,3-oxazole-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 125.047676 Da
Monoisotopic Mass: 1.0
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]+	126.05495	122.3
[M+Na]+	148.03689	134.5
[M+NH4]+	143.08150	130.3
[M+K]+	164.01083	131.1
[M-H]-	124.04040	124.1
[M+Na-2H]-	146.02234	127.7
[M]+	125.04713	124.4
[M]-	125.04822	124.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe