CID 3060536

C 3138

Structural Information

Molecular Formula

C₁₅H₂₁ClN₂O

SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)CCN2CCCCC2

InChI

InChI=1S/C15H21ClN2O/c1-12-6-5-7-13(16)15(12)17-14(19)8-11-18-9-3-2-4-10-18/h5-7H,2-4,8-11H2,1H3,(H,17,19)

InChIKey

KXKSINKVCHSCGG-UHFFFAOYSA-N

Compound name

N-(2-chloro-6-methylphenyl)-3-piperidin-1-ylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 280.13425 Da
Monoisotopic Mass: 2.0
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]+	281.141526	166.3
[M+Na]+	303.123468	171.2
[M-H]-	279.126974	170.3
[M+NH4]+	298.168073	181.2
[M+K]+	319.097408	166.1
[M+H-H2O]+	263.131510	158.4
[M+HCOO]-	325.132451	180.5
[M+CH3COO]-	339.148101	200.9
[M+Na-2H]-	301.108916	168.1
[M]+	280.13370142	164.2
[M]-	280.13479858	164.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe