CID 525788

5-ethyl-4-methyl-2-pentyloxazole

Structural Information

Molecular Formula

C₁₁H₁₉NO

SMILES

CCCCCC1=NC(=C(O1)CC)C

InChI

InChI=1S/C11H19NO/c1-4-6-7-8-11-12-9(3)10(5-2)13-11/h4-8H2,1-3H3

InChIKey

CJVUTPBIHCDRQD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 181.14667 Da
Monoisotopic Mass: 3.8
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]+	182.153946	142.0
[M+Na]+	204.135888	150.5
[M-H]-	180.139394	145.0
[M+NH4]+	199.180493	162.0
[M+K]+	220.109828	149.7
[M+H-H2O]+	164.143930	136.0
[M+HCOO]-	226.144871	164.7
[M+CH3COO]-	240.160521	184.3
[M+Na-2H]-	202.121336	146.4
[M]+	181.14612142	146.7
[M]-	181.14721858	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.