CID 66466463

2-benzyl-2-ethylpyrrolidine hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₉N

SMILES

CCC1(CCCN1)CC2=CC=CC=C2

InChI

InChI=1S/C13H19N/c1-2-13(9-6-10-14-13)11-12-7-4-3-5-8-12/h3-5,7-8,14H,2,6,9-11H2,1H3

InChIKey

DDZOXKHVZSVUPH-UHFFFAOYSA-N

Compound name

2-benzyl-2-ethylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 189.15175 Da
Monoisotopic Mass: 3.0
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]+	190.15903	146.3
[M+Na]+	212.14097	158.0
[M+NH4]+	207.18557	157.0
[M+K]+	228.11491	150.0
[M-H]-	188.14447	149.8
[M+Na-2H]-	210.12642	155.0
[M]+	189.15120	149.0
[M]-	189.15230	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe