CID 24904340

1044769-17-6

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

C1CNCCC1C2=CC(=CC=C2)C(=O)N

InChI

InChI=1S/C12H16N2O/c13-12(15)11-3-1-2-10(8-11)9-4-6-14-7-5-9/h1-3,8-9,14H,4-7H2,(H2,13,15)

InChIKey

PGYKSKNYYWZSNQ-UHFFFAOYSA-N

Compound name

3-piperidin-4-ylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 204.12627 Da
Monoisotopic Mass: 0.9
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]+	205.13355	146.7
[M+Na]+	227.11549	150.8
[M-H]-	203.11899	149.3
[M+NH4]+	222.16009	162.5
[M+K]+	243.08943	146.9
[M+H-H2O]+	187.12353	139.0
[M+HCOO]-	249.12447	164.5
[M+CH3COO]-	263.14012	184.5
[M+Na-2H]-	225.10094	149.9
[M]+	204.12572	138.2
[M]-	204.12682	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe