CID 16795596

5-chloro-2-(piperidine-1-carbonyl)aniline

Structural Information

Molecular Formula

C₁₂H₁₅ClN₂O

SMILES

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

InChI

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

InChIKey

ONDLGHGVJQYNAO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 238.0873 Da
Monoisotopic Mass: 2.7
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]+	239.094576	153.3
[M+Na]+	261.076518	159.5
[M-H]-	237.080024	157.4
[M+NH4]+	256.121123	169.7
[M+K]+	277.050458	154.8
[M+H-H2O]+	221.084560	146.1
[M+HCOO]-	283.085501	167.9
[M+CH3COO]-	297.101151	191.3
[M+Na-2H]-	259.061966	155.6
[M]+	238.08675142	149.1
[M]-	238.08784858	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe