CID 11412557

N-phenylpyrrolidin-3-amine

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

C1CNCC1NC2=CC=CC=C2

InChI

InChI=1S/C10H14N2/c1-2-4-9(5-3-1)12-10-6-7-11-8-10/h1-5,10-12H,6-8H2

InChIKey

AAFUQJGCJNFFRT-UHFFFAOYSA-N

Compound name

N-phenylpyrrolidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 101
Patents: 162.11569 Da
Monoisotopic Mass: 1.7
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]+	163.122966	134.3
[M+Na]+	185.104908	139.2
[M-H]-	161.108414	137.6
[M+NH4]+	180.149513	153.9
[M+K]+	201.078848	135.8
[M+H-H2O]+	145.112950	126.9
[M+HCOO]-	207.113891	156.2
[M+CH3COO]-	221.129541	146.4
[M+Na-2H]-	183.090356	140.0
[M]+	162.11514142	127.8
[M]-	162.11623858	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe