CID 16090775

91766-96-0

Structural Information

Molecular Formula

C₁₂H₁₅ClN₂O

SMILES

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

InChI

InChI=1S/C12H15ClN2O/c13-10-5-4-9(8-11(10)14)12(16)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,14H2

InChIKey

HASRYCYCAUWJKD-UHFFFAOYSA-N

Compound name

(3-amino-4-chlorophenyl)-piperidin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 238.0873 Da
Monoisotopic Mass: 2.2
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]+	239.09458	152.2
[M+Na]+	261.07652	164.9
[M+NH4]+	256.12112	160.8
[M+K]+	277.05046	157.8
[M-H]-	237.08002	156.2
[M+Na-2H]-	259.06197	159.3
[M]+	238.08675	155.3
[M]-	238.08785	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe