CID 62065223

3-(4-ethylphenyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₇N

SMILES

CCC1=CC=C(C=C1)C2CCNC2

InChI

InChI=1S/C12H17N/c1-2-10-3-5-11(6-4-10)12-7-8-13-9-12/h3-6,12-13H,2,7-9H2,1H3

InChIKey

MIYWEAJLZPJRJE-UHFFFAOYSA-N

Compound name

3-(4-ethylphenyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 175.1361 Da
Monoisotopic Mass: 2.5
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]+	176.14338	141.4
[M+Na]+	198.12532	153.5
[M+NH4]+	193.16992	150.8
[M+K]+	214.09926	147.6
[M-H]-	174.12882	145.0
[M+Na-2H]-	196.11077	148.6
[M]+	175.13555	144.1
[M]-	175.13665	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe