CID 2062157

34595-26-1

Structural Information

Molecular Formula

C₁₂H₁₅NO

SMILES

C1CCN(CC1)C2=CC=CC=C2C=O

InChI

InChI=1S/C12H15NO/c14-10-11-6-2-3-7-12(11)13-8-4-1-5-9-13/h2-3,6-7,10H,1,4-5,8-9H2

InChIKey

SMABIQIPGVQEEX-UHFFFAOYSA-N

Compound name

2-piperidin-1-ylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 129
Patents: 189.11537 Da
Monoisotopic Mass: 2.4
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	141.8
[M+Na]+	212.10459	147.3
[M-H]-	188.10809	146.2
[M+NH4]+	207.14919	159.6
[M+K]+	228.07853	144.4
[M+H-H2O]+	172.11263	133.9
[M+HCOO]-	234.11357	161.6
[M+CH3COO]-	248.12922	182.0
[M+Na-2H]-	210.09004	147.2
[M]+	189.11482	137.4
[M]-	189.11592	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe