CID 16394884

915923-59-0

Structural Information

Molecular Formula

C₁₂H₁₇ClN₂

SMILES

C1CCN(C1)C(CN)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H17ClN2/c13-11-5-3-10(4-6-11)12(9-14)15-7-1-2-8-15/h3-6,12H,1-2,7-9,14H2

InChIKey

UZOHZMOJLIOLON-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 224.10803 Da
Monoisotopic Mass: 2.0
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]+	225.11531	152.2
[M+Na]+	247.09725	158.1
[M-H]-	223.10075	156.2
[M+NH4]+	242.14185	170.8
[M+K]+	263.07119	153.3
[M+H-H2O]+	207.10529	145.0
[M+HCOO]-	269.10623	168.6
[M+CH3COO]-	283.12188	189.1
[M+Na-2H]-	245.08270	153.6
[M]+	224.10748	149.0
[M]-	224.10858	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe