CID 3057465

H 576

Structural Information

Molecular Formula

C₁₄H₂₀ClN

SMILES

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

InChI

InChI=1S/C14H20ClN/c1-11(2)14(16-9-3-4-10-16)12-5-7-13(15)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3

InChIKey

GSNKWVXOXSVGTR-UHFFFAOYSA-N

Compound name

1-[1-(4-chlorophenyl)-2-methylpropyl]pyrrolidine

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	156.9
[M+Na]+	260.11765	162.6
[M-H]-	236.12115	161.3
[M+NH4]+	255.16225	175.6
[M+K]+	276.09159	158.1
[M+H-H2O]+	220.12569	149.8
[M+HCOO]-	282.12663	171.2
[M+CH3COO]-	296.14228	191.9
[M+Na-2H]-	258.10310	156.6
[M]+	237.12788	155.5
[M]-	237.12898	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe