CID 3056496

73790-60-0

Structural Information

Molecular Formula

C₁₄H₂₀ClN

SMILES

CCC(C1=CC=CC=C1Cl)N2CCCCC2

InChI

InChI=1S/C14H20ClN/c1-2-14(16-10-6-3-7-11-16)12-8-4-5-9-13(12)15/h4-5,8-9,14H,2-3,6-7,10-11H2,1H3

InChIKey

JKNUTRCLBCBBJU-UHFFFAOYSA-N

Compound name

1-[1-(2-chlorophenyl)propyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 237.12843 Da
Monoisotopic Mass: 4.2
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]+	238.13571	155.3
[M+Na]+	260.11765	160.2
[M-H]-	236.12115	159.1
[M+NH4]+	255.16225	172.0
[M+K]+	276.09159	155.4
[M+H-H2O]+	220.12569	147.7
[M+HCOO]-	282.12663	168.3
[M+CH3COO]-	296.14228	191.4
[M+Na-2H]-	258.10310	157.9
[M]+	237.12788	152.3
[M]-	237.12898	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe