CID 2760546

3-(1h-pyrrol-1-yl)aniline

Structural Information

Molecular Formula

C₁₀H₁₀N₂

SMILES

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

InChI

InChI=1S/C10H10N2/c11-9-4-3-5-10(8-9)12-6-1-2-7-12/h1-8H,11H2

InChIKey

PJGDCPOPSNUYHC-UHFFFAOYSA-N

Compound name

3-pyrrol-1-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 169
Patents: 158.0844 Da
Monoisotopic Mass: 2.4
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]+	159.091676	131.1
[M+Na]+	181.073618	139.6
[M-H]-	157.077124	136.5
[M+NH4]+	176.118223	151.9
[M+K]+	197.047558	136.3
[M+H-H2O]+	141.081660	123.9
[M+HCOO]-	203.082601	156.8
[M+CH3COO]-	217.098251	145.3
[M+Na-2H]-	179.059066	137.6
[M]+	158.08385142	128.8
[M]-	158.08494858	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe