CID 53926

77966-63-3

Structural Information

Molecular Formula

C₁₅H₂₁ClN₂O

SMILES

CC1CCCCN1CC(=O)NC2=C(C=CC=C2Cl)C

InChI

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

InChIKey

RAZKTTFPRRGIGK-UHFFFAOYSA-N

Compound name

N-(2-chloro-6-methylphenyl)-2-(2-methylpiperidin-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 280.13425 Da
Monoisotopic Mass: 3.4
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	172.2
[M-H]-	279.126974	170.8
[M+NH4]+	298.168073	181.6
[M+K]+	319.097408	167.1
[M+H-H2O]+	263.131510	158.7
[M+HCOO]-	325.132451	180.6
[M+CH3COO]-	339.148101	202.1
[M+Na-2H]-	301.108916	167.4
[M]+	280.13370142	164.6
[M]-	280.13479858	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe