CID 28946198

1-[2-(chloromethyl)phenyl]pyrrolidine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₄ClN

SMILES

C1CCN(C1)C2=CC=CC=C2CCl

InChI

InChI=1S/C11H14ClN/c12-9-10-5-1-2-6-11(10)13-7-3-4-8-13/h1-2,5-6H,3-4,7-9H2

InChIKey

HWLMTTNCCYJFRR-UHFFFAOYSA-N

Compound name

1-[2-(chloromethyl)phenyl]pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 195.08148 Da
Monoisotopic Mass: 2.9
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]+	196.08876	143.0
[M+Na]+	218.07070	150.5
[M-H]-	194.07420	147.6
[M+NH4]+	213.11530	163.5
[M+K]+	234.04464	145.9
[M+H-H2O]+	178.07874	136.1
[M+HCOO]-	240.07968	160.2
[M+CH3COO]-	254.09533	155.7
[M+Na-2H]-	216.05615	146.6
[M]+	195.08093	141.6
[M]-	195.08203	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe