CID 14476556

3-phenylpyrrolidin-3-amine

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

C1CNCC1(C2=CC=CC=C2)N

InChI

InChI=1S/C10H14N2/c11-10(6-7-12-8-10)9-4-2-1-3-5-9/h1-5,12H,6-8,11H2

InChIKey

FKZSGLDYUYQPLW-UHFFFAOYSA-N

Compound name

3-phenylpyrrolidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 162.11569 Da
Monoisotopic Mass: 0.3
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	135.1
[M+Na]+	185.104908	141.0
[M-H]-	161.108414	138.3
[M+NH4]+	180.149513	156.5
[M+K]+	201.078848	137.4
[M+H-H2O]+	145.112950	128.4
[M+HCOO]-	207.113891	156.4
[M+CH3COO]-	221.129541	147.4
[M+Na-2H]-	183.090356	140.8
[M]+	162.11514142	127.9
[M]-	162.11623858	127.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe