CID 3057978

1-(1-phenylbutyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula

C₁₄H₂₁N

SMILES

CCCC(C1=CC=CC=C1)N2CCCC2

InChI

InChI=1S/C14H21N/c1-2-8-14(15-11-6-7-12-15)13-9-4-3-5-10-13/h3-5,9-10,14H,2,6-8,11-12H2,1H3

InChIKey

BYYKMGRGZHFFHF-UHFFFAOYSA-N

Compound name

1-(1-phenylbutyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 203.1674 Da
Monoisotopic Mass: 3.5
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]+	204.17468	150.5
[M+Na]+	226.15662	162.0
[M+NH4]+	221.20122	159.8
[M+K]+	242.13056	156.0
[M-H]-	202.16012	154.2
[M+Na-2H]-	224.14207	157.7
[M]+	203.16685	153.1
[M]-	203.16795	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe