CID 4961928

754126-86-8

Structural Information

Molecular Formula

C₁₂H₁₄N₂O

SMILES

C1CC(CNC1)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C12H14N2O/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-2,5-6,9,13H,3-4,7-8H2

InChIKey

MNJITFGKRQIUJN-UHFFFAOYSA-N

Compound name

2-piperidin-3-yl-1,3-benzoxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 202.11061 Da
Monoisotopic Mass: 1.9
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]+	203.11789	142.2
[M+Na]+	225.09983	149.7
[M-H]-	201.10333	146.1
[M+NH4]+	220.14443	159.2
[M+K]+	241.07377	146.4
[M+H-H2O]+	185.10787	134.2
[M+HCOO]-	247.10881	160.2
[M+CH3COO]-	261.12446	154.4
[M+Na-2H]-	223.08528	149.0
[M]+	202.11006	138.9
[M]-	202.11116	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe