CID 6924577

(2-(pyrrolidin-1-yl)phenyl)methanamine

Structural Information

Molecular Formula

C₁₁H₁₆N₂

SMILES

C1CCN(C1)C2=CC=CC=C2CN

InChI

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

InChIKey

PLXNYYYHSZRVJH-UHFFFAOYSA-N

Compound name

(2-pyrrolidin-1-ylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 176.13135 Da
Monoisotopic Mass: 1.4
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	139.1
[M+Na]+	199.12057	145.0
[M-H]-	175.12407	143.5
[M+NH4]+	194.16517	159.0
[M+K]+	215.09451	141.9
[M+H-H2O]+	159.12861	131.6
[M+HCOO]-	221.12955	161.6
[M+CH3COO]-	235.14520	181.5
[M+Na-2H]-	197.10602	143.0
[M]+	176.13080	134.2
[M]-	176.13190	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe