CID 4118151

Farampator

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₂

SMILES

C1CCN(CC1)C(=O)C2=CC3=NON=C3C=C2

InChI

InChI=1S/C12H13N3O2/c16-12(15-6-2-1-3-7-15)9-4-5-10-11(8-9)14-17-13-10/h4-5,8H,1-3,6-7H2

InChIKey

XFVRBYKKGGDPAJ-UHFFFAOYSA-N

Compound name

2,1,3-benzoxadiazol-5-yl(piperidin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 339
Patents: 231.10077 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]+	232.10805	149.9
[M+Na]+	254.08999	163.3
[M+NH4]+	249.13459	157.6
[M+K]+	270.06393	159.3
[M-H]-	230.09349	153.3
[M+Na-2H]-	252.07544	156.4
[M]+	231.10022	152.6
[M]-	231.10132	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe