CID 54303054

4-ethyl-5-pentyloxazole

Structural Information

Molecular Formula

C₁₀H₁₇NO

SMILES

CCCCCC1=C(N=CO1)CC

InChI

InChI=1S/C10H17NO/c1-3-5-6-7-10-9(4-2)11-8-12-10/h8H,3-7H2,1-2H3

InChIKey

YDGSSDOFWZDPLT-UHFFFAOYSA-N

Compound name

4-ethyl-5-pentyl-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 167.13101 Da
Monoisotopic Mass: 3.4
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	137.8
[M+Na]+	190.12023	149.6
[M+NH4]+	185.16483	146.0
[M+K]+	206.09417	144.8
[M-H]-	166.12373	140.2
[M+Na-2H]-	188.10568	142.7
[M]+	167.13046	140.1
[M]-	167.13156	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe