CID 573845

4-hexyl-2,5-dimethyloxazole

Structural Information

Molecular Formula

C₁₁H₁₉NO

SMILES

CCCCCCC1=C(OC(=N1)C)C

InChI

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

InChIKey

HMYAUWMKFPILNN-UHFFFAOYSA-N

Compound name

4-hexyl-2,5-dimethyl-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 181.14667 Da
Monoisotopic Mass: 4.0
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]+	182.15395	142.0
[M+Na]+	204.13589	150.5
[M-H]-	180.13939	145.0
[M+NH4]+	199.18049	162.0
[M+K]+	220.10983	149.7
[M+H-H2O]+	164.14393	136.0
[M+HCOO]-	226.14487	164.7
[M+CH3COO]-	240.16052	184.3
[M+Na-2H]-	202.12134	146.4
[M]+	181.14612	146.7
[M]-	181.14722	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe