CID 808841

216670-47-2

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

C1CCN(C1)C2=CC=C(C=C2)N

InChI

InChI=1S/C10H14N2/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h3-6H,1-2,7-8,11H2

InChIKey

URAARCWOADCWLA-UHFFFAOYSA-N

Compound name

4-pyrrolidin-1-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2879
Patents: 162.11569 Da
Monoisotopic Mass: 2.9
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]+	163.12297	134.6
[M+Na]+	185.10491	140.9
[M-H]-	161.10841	139.2
[M+NH4]+	180.14951	155.0
[M+K]+	201.07885	138.0
[M+H-H2O]+	145.11295	127.3
[M+HCOO]-	207.11389	157.4
[M+CH3COO]-	221.12954	147.5
[M+Na-2H]-	183.09036	139.0
[M]+	162.11514	129.3
[M]-	162.11624	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.