CID 525787

4,5-dimethyl-2-pentyloxazole

Structural Information

Molecular Formula

C₁₀H₁₇NO

SMILES

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

InChI

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

InChIKey

HLNGYNXFRKTMHQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
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	137.4
[M+Na]+	190.12023	149.6
[M+NH4]+	185.16483	145.7
[M+K]+	206.09417	145.0
[M-H]-	166.12373	139.9
[M+Na-2H]-	188.10568	142.2
[M]+	167.13046	139.8
[M]-	167.13156	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe