CID 2795457

4-(1h-pyrrol-1-yl)aniline

Structural Information

Molecular Formula

C₁₀H₁₀N₂

SMILES

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

InChI

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

InChIKey

NHLHWHRXMZZWGA-UHFFFAOYSA-N

Compound name

4-pyrrol-1-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 217
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]+	159.09168	132.6
[M+Na]+	181.07362	146.0
[M+NH4]+	176.11822	142.2
[M+K]+	197.04756	140.5
[M-H]-	157.07712	137.2
[M+Na-2H]-	179.05907	142.1
[M]+	158.08385	135.8
[M]-	158.08495	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe