CID 487900

5-methoxyoxazole

Structural Information

Molecular Formula

SMILES

COC1=CN=CO1

InChI

InChI=1S/C4H5NO2/c1-6-4-2-5-3-7-4/h2-3H,1H3

InChIKey

HNYHDLOJKVORSF-UHFFFAOYSA-N

Compound name

5-methoxy-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 140
Patents: 99.03203 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]+	100.03931	112.8
[M+Na]+	122.02125	122.2
[M-H]-	98.024754	116.1
[M+NH4]+	117.06585	135.2
[M+K]+	137.99519	123.8
[M+H-H2O]+	82.029290	107.3
[M+HCOO]-	144.03023	138.0
[M+CH3COO]-	158.04588	162.9
[M+Na-2H]-	120.00670	122.3
[M]+	99.031481	115.5
[M]-	99.032579	115.5

Literature stripe

literature stripe

Patent stripe

patents stripe