CID 115059274

(2-phenylpyrrolidin-2-yl)methanamine

Structural Information

Molecular Formula

C₁₁H₁₆N₂

SMILES

C1CC(NC1)(CN)C2=CC=CC=C2

InChI

InChI=1S/C11H16N2/c12-9-11(7-4-8-13-11)10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9,12H2

InChIKey

IPUNFMORXOVGOZ-UHFFFAOYSA-N

Compound name

(2-phenylpyrrolidin-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 176.13135 Da
Monoisotopic Mass: 0.7
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]+	177.13863	140.6
[M+Na]+	199.12057	151.1
[M+NH4]+	194.16517	151.0
[M+K]+	215.09451	144.3
[M-H]-	175.12407	144.2
[M+Na-2H]-	197.10602	149.1
[M]+	176.13080	143.1
[M]-	176.13190	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe