CID 86113205

4-butyl-2-ethyl-5-methyloxazole

Structural Information

Molecular Formula

C₁₀H₁₇NO

SMILES

CCCCC1=C(OC(=N1)CC)C

InChI

InChI=1S/C10H17NO/c1-4-6-7-9-8(3)12-10(5-2)11-9/h4-7H2,1-3H3

InChIKey

FQGHKCJAKLWLKG-UHFFFAOYSA-N

Compound name

4-butyl-2-ethyl-5-methyl-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 167.13101 Da
Monoisotopic Mass: 3.3
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]+	168.13829	137.4
[M+Na]+	190.12023	149.6
[M+NH4]+	185.16483	145.7
[M+K]+	206.09417	145.0
[M-H]-	166.12373	139.9
[M+Na-2H]-	188.10568	142.2
[M]+	167.13046	139.8
[M]-	167.13156	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.