CID 4961822

276886-84-1

Structural Information

Molecular Formula

C₁₃H₁₆ClNO

SMILES

CN(C1CCCC2=CC=CC=C12)C(=O)CCl

InChI

InChI=1S/C13H16ClNO/c1-15(13(16)9-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12H,4,6,8-9H2,1H3

InChIKey

FLTYMFJRZLOGIY-UHFFFAOYSA-N

Compound name

2-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 237.09204 Da
Monoisotopic Mass: 2.6
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]+	238.099316	152.1
[M+Na]+	260.081258	158.2
[M-H]-	236.084764	157.1
[M+NH4]+	255.125863	172.0
[M+K]+	276.055198	154.8
[M+H-H2O]+	220.089300	146.3
[M+HCOO]-	282.090241	168.7
[M+CH3COO]-	296.105891	196.0
[M+Na-2H]-	258.066706	156.6
[M]+	237.09149142	152.4
[M]-	237.09258858	152.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.