CID 11344484

4-(5-ethyl-1,2,4-oxadiazol-3-yl)aniline

Structural Information

Molecular Formula

C₁₀H₁₁N₃O

SMILES

CCC1=NC(=NO1)C2=CC=C(C=C2)N

InChI

InChI=1S/C10H11N3O/c1-2-9-12-10(13-14-9)7-3-5-8(11)6-4-7/h3-6H,2,11H2,1H3

InChIKey

GBCCZEVTBFBSTB-UHFFFAOYSA-N

Compound name

4-(5-ethyl-1,2,4-oxadiazol-3-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 189.09021 Da
Monoisotopic Mass: 2.1
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]+	190.09749	140.0
[M+Na]+	212.07943	153.4
[M+NH4]+	207.12403	147.9
[M+K]+	228.05337	149.3
[M-H]-	188.08293	144.5
[M+Na-2H]-	210.06488	147.7
[M]+	189.08966	143.1
[M]-	189.09076	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe