CID 3717262

N-(tetrahydropyran-2-yl)benzamide

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

C1CCOC(C1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H15NO2/c14-12(10-6-2-1-3-7-10)13-11-8-4-5-9-15-11/h1-3,6-7,11H,4-5,8-9H2,(H,13,14)

InChIKey

ACJOIWBNYDPODS-UHFFFAOYSA-N

Compound name

N-(oxan-2-yl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 205.11028 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]+	206.11756	145.3
[M+Na]+	228.09950	148.9
[M-H]-	204.10300	151.5
[M+NH4]+	223.14410	161.8
[M+K]+	244.07344	148.0
[M+H-H2O]+	188.10754	137.8
[M+HCOO]-	250.10848	165.8
[M+CH3COO]-	264.12413	185.3
[M+Na-2H]-	226.08495	151.4
[M]+	205.10973	140.7
[M]-	205.11083	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe