CID 525776

5-ethyl-2,4-dimethyloxazole

Structural Information

Molecular Formula

SMILES

CCC1=C(N=C(O1)C)C

InChI

InChI=1S/C7H11NO/c1-4-7-5(2)8-6(3)9-7/h4H2,1-3H3

InChIKey

XOOCKFZHDAFKNK-UHFFFAOYSA-N

Compound name

5-ethyl-2,4-dimethyl-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 37
Patents: 125.08406 Da
Monoisotopic Mass: 2.0
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]+	126.09134	123.7
[M+Na]+	148.07328	136.6
[M+NH4]+	143.11788	132.5
[M+K]+	164.04722	132.7
[M-H]-	124.07678	126.4
[M+Na-2H]-	146.05873	129.4
[M]+	125.08351	126.3
[M]-	125.08461	126.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe