CID 13476550

1241898-75-8

Structural Information

Molecular Formula

C₁₂H₁₄ClNO

SMILES

C1CNCCC1C(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C12H14ClNO/c13-11-4-2-1-3-10(11)12(15)9-5-7-14-8-6-9/h1-4,9,14H,5-8H2

InChIKey

BTRYGLDUFBMBSD-UHFFFAOYSA-N

Compound name

(2-chlorophenyl)-piperidin-4-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 223.07639 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]+	224.083666	148.5
[M+Na]+	246.065608	154.1
[M-H]-	222.069114	151.4
[M+NH4]+	241.110213	165.0
[M+K]+	262.039548	148.9
[M+H-H2O]+	206.073650	141.6
[M+HCOO]-	268.074591	161.2
[M+CH3COO]-	282.090241	184.0
[M+Na-2H]-	244.051056	151.8
[M]+	223.07584142	143.8
[M]-	223.07693858	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe