CID 76106

Benzoxazole, 2-(1-piperidinyl)-

Structural Information

Molecular Formula

C₁₂H₁₄N₂O

SMILES

C1CCN(CC1)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C12H14N2O/c1-4-8-14(9-5-1)12-13-10-6-2-3-7-11(10)15-12/h2-3,6-7H,1,4-5,8-9H2

InChIKey

ZSBQPJZYLMTSLO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 36
Patents: 202.11061 Da
Monoisotopic Mass: 3.2
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	142.0
[M+Na]+	225.09983	149.9
[M-H]-	201.10333	147.2
[M+NH4]+	220.14443	159.6
[M+K]+	241.07377	147.4
[M+H-H2O]+	185.10787	133.6
[M+HCOO]-	247.10881	161.4
[M+CH3COO]-	261.12446	154.7
[M+Na-2H]-	223.08528	149.1
[M]+	202.11006	140.4
[M]-	202.11116	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe