CID 1519353

114715-38-7

Structural Information

Molecular Formula

C₁₁H₁₆N₂

SMILES

C1CN(C[C@H]1N)CC2=CC=CC=C2

InChI

InChI=1S/C11H16N2/c12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9,12H2/t11-/m0/s1

InChIKey

HBVNLKQGRZPGRP-NSHDSACASA-N

Compound name

(3S)-1-benzylpyrrolidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2236
Patents: 176.13135 Da
Monoisotopic Mass: 1.0
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]+	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