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	145.8
[M-H]-	166.12373	140.5
[M+NH4]+	185.16483	158.0
[M+K]+	206.09417	145.3
[M+H-H2O]+	150.12827	131.6
[M+HCOO]-	212.12921	160.8
[M+CH3COO]-	226.14486	180.2
[M+Na-2H]-	188.10568	143.4
[M]+	167.13046	141.8
[M]-	167.13156	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe