CID 140814

21211-65-4

Structural Information

Molecular Formula

C₉H₁₀N₂

SMILES

C1=CNC(=C1)CC2=CC=CN2

InChI

InChI=1S/C9H10N2/c1-3-8(10-5-1)7-9-4-2-6-11-9/h1-6,10-11H,7H2

InChIKey

PBTPREHATAFBEN-UHFFFAOYSA-N

Compound name

2-(1H-pyrrol-2-ylmethyl)-1H-pyrrole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 80
References: 1974
Patents: 146.0844 Da
Monoisotopic Mass: 1.5
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]+	147.09168	129.9
[M+Na]+	169.07362	142.1
[M+NH4]+	164.11822	138.4
[M+K]+	185.04756	139.2
[M-H]-	145.07712	131.7
[M+Na-2H]-	167.05907	138.0
[M]+	146.08385	132.0
[M]-	146.08495	132.0

Literature stripe

literature stripe

Patent stripe

patents stripe