CID 483255

3-(2-ethyl-5-methyl-2h-pyrazol-3-yl)-5-methyl-isoxazole

Structural Information

Molecular Formula

C₁₀H₁₃N₃O

SMILES

CCN1C(=CC(=N1)C)C2=NOC(=C2)C

InChI

InChI=1S/C10H13N3O/c1-4-13-10(5-7(2)11-13)9-6-8(3)14-12-9/h5-6H,4H2,1-3H3

InChIKey

NFEBUIPFSQEGCB-UHFFFAOYSA-N

Compound name

3-(2-ethyl-5-methylpyrazol-3-yl)-5-methyl-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 191.10587 Da
Monoisotopic Mass: 1.5
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]+	192.113146	138.9
[M+Na]+	214.095088	151.1
[M-H]-	190.098594	143.9
[M+NH4]+	209.139693	157.5
[M+K]+	230.069028	149.6
[M+H-H2O]+	174.103130	131.5
[M+HCOO]-	236.104071	163.0
[M+CH3COO]-	250.119721	183.7
[M+Na-2H]-	212.080536	143.1
[M]+	191.10532142	144.4
[M]-	191.10641858	144.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.