CID 42590695

2-chloro-6-(piperidin-1-yl)benzaldehyde

Structural Information

Molecular Formula

C₁₂H₁₄ClNO

SMILES

C1CCN(CC1)C2=C(C(=CC=C2)Cl)C=O

InChI

InChI=1S/C12H14ClNO/c13-11-5-4-6-12(10(11)9-15)14-7-2-1-3-8-14/h4-6,9H,1-3,7-8H2

InChIKey

ADGCZFOMNLASBV-UHFFFAOYSA-N

Compound name

2-chloro-6-piperidin-1-ylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 223.07639 Da
Monoisotopic Mass: 3.0
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]+	224.083666	148.1
[M+Na]+	246.065608	155.4
[M-H]-	222.069114	152.7
[M+NH4]+	241.110213	165.7
[M+K]+	262.039548	150.6
[M+H-H2O]+	206.073650	141.0
[M+HCOO]-	268.074591	163.3
[M+CH3COO]-	282.090241	186.9
[M+Na-2H]-	244.051056	152.3
[M]+	223.07584142	146.2
[M]-	223.07693858	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.