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: 320
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]+	232.108046	149.5
[M+Na]+	254.089988	157.3
[M-H]-	230.093494	153.4
[M+NH4]+	249.134593	164.3
[M+K]+	270.063928	155.1
[M+H-H2O]+	214.098030	140.2
[M+HCOO]-	276.098971	166.9
[M+CH3COO]-	290.114621	161.2
[M+Na-2H]-	252.075436	155.3
[M]+	231.10022142	148.5
[M]-	231.10131858	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe