CID 6420671

5562-52-7

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

C1CC(CNC1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H15NO/c14-12(10-5-2-1-3-6-10)11-7-4-8-13-9-11/h1-3,5-6,11,13H,4,7-9H2

InChIKey

TXXOWSICLRODES-UHFFFAOYSA-N

Compound name

phenyl(piperidin-3-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 189.11537 Da
Monoisotopic Mass: 1.6
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]+	190.12265	142.7
[M+Na]+	212.10459	146.6
[M-H]-	188.10809	145.4
[M+NH4]+	207.14919	159.4
[M+K]+	228.07853	143.1
[M+H-H2O]+	172.11263	135.0
[M+HCOO]-	234.11357	160.0
[M+CH3COO]-	248.12922	179.1
[M+Na-2H]-	210.09004	147.2
[M]+	189.11482	135.4
[M]-	189.11592	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe