CID 6950385

64030-44-0

Structural Information

Molecular Formula

C₁₁H₁₆N₂

SMILES

C1C[C@H](NC1)CNC2=CC=CC=C2

InChI

InChI=1S/C11H16N2/c1-2-5-10(6-3-1)13-9-11-7-4-8-12-11/h1-3,5-6,11-13H,4,7-9H2/t11-/m0/s1

InChIKey

MCHWKJRTMPIHRA-NSHDSACASA-N

Compound name

N-[[(2S)-pyrrolidin-2-yl]methyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 241
Patents: 176.13135 Da
Monoisotopic Mass: 2.0
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	138.8
[M+Na]+	199.12057	143.2
[M-H]-	175.12407	141.9
[M+NH4]+	194.16517	157.8
[M+K]+	215.09451	139.6
[M+H-H2O]+	159.12861	131.2
[M+HCOO]-	221.12955	160.3
[M+CH3COO]-	235.14520	150.5
[M+Na-2H]-	197.10602	143.9
[M]+	176.13080	132.6
[M]-	176.13190	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe