CID 3057473

H 276

Structural Information

Molecular Formula

C₁₄H₂₀ClN

SMILES

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

InChI

InChI=1S/C14H20ClN/c1-2-5-14(16-10-3-4-11-16)12-6-8-13(15)9-7-12/h6-9,14H,2-5,10-11H2,1H3

InChIKey

CUBKDPRZDWYTQP-UHFFFAOYSA-N

Compound name

1-[1-(4-chlorophenyl)butyl]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	157.1
[M+Na]+	260.11765	163.0
[M-H]-	236.12115	161.3
[M+NH4]+	255.16225	175.8
[M+K]+	276.09159	158.1
[M+H-H2O]+	220.12569	149.7
[M+HCOO]-	282.12663	172.3
[M+CH3COO]-	296.14228	191.1
[M+Na-2H]-	258.10310	157.9
[M]+	237.12788	156.2
[M]-	237.12898	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe