CID 3057469

(p-chloro-alpha-methylbenzyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₆ClN

SMILES

CC(C1=CC=C(C=C1)Cl)N2CCCC2

InChI

InChI=1S/C12H16ClN/c1-10(14-8-2-3-9-14)11-4-6-12(13)7-5-11/h4-7,10H,2-3,8-9H2,1H3

InChIKey

JKMPEVUAFONETO-UHFFFAOYSA-N

Compound name

1-[1-(4-chlorophenyl)ethyl]pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 209.09712 Da
Monoisotopic Mass: 3.3
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]+	210.104396	147.7
[M+Na]+	232.086338	154.5
[M-H]-	208.089844	152.3
[M+NH4]+	227.130943	167.6
[M+K]+	248.060278	150.1
[M+H-H2O]+	192.094380	140.8
[M+HCOO]-	254.095321	163.6
[M+CH3COO]-	268.110971	185.1
[M+Na-2H]-	230.071786	149.7
[M]+	209.09657142	146.2
[M]-	209.09766858	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe