CID 86003227

2,4-diethyl-5-propyloxazole

Structural Information

Molecular Formula

C₁₀H₁₇NO

SMILES

CCCC1=C(N=C(O1)CC)CC

InChI

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

InChIKey

NEZWJGLSYGBROR-UHFFFAOYSA-N

Compound name

2,4-diethyl-5-propyl-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9
Patents: 167.13101 Da
Monoisotopic Mass: 3.2
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]+	168.138286	137.3
[M+Na]+	190.120228	146.2
[M-H]-	166.123734	140.4
[M+NH4]+	185.164833	157.8
[M+K]+	206.094168	145.7
[M+H-H2O]+	150.128270	131.5
[M+HCOO]-	212.129211	160.3
[M+CH3COO]-	226.144861	181.3
[M+Na-2H]-	188.105676	142.2
[M]+	167.13046142	141.6
[M]-	167.13155858	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe