CID 12926610

77145-34-7

Structural Information

Molecular Formula

C₁₂H₁₆ClN₃O

SMILES

CC(=O)NC1CCN(CC1)C2=C(C=CC=N2)Cl

InChI

InChI=1S/C12H16ClN3O/c1-9(17)15-10-4-7-16(8-5-10)12-11(13)3-2-6-14-12/h2-3,6,10H,4-5,7-8H2,1H3,(H,15,17)

InChIKey

NOFVKQABVJSNPB-UHFFFAOYSA-N

Compound name

N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 253.09819 Da
Monoisotopic Mass: 1.8
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]+	254.105466	157.0
[M+Na]+	276.087408	163.2
[M-H]-	252.090914	160.1
[M+NH4]+	271.132013	171.7
[M+K]+	292.061348	158.7
[M+H-H2O]+	236.095450	148.6
[M+HCOO]-	298.096391	170.9
[M+CH3COO]-	312.112041	194.7
[M+Na-2H]-	274.072856	160.5
[M]+	253.09764142	154.3
[M]-	253.09873858	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.