CID 90658150

4-hydroxy-2,2'-bipyrrole-5-methanol

Structural Information

Molecular Formula

C₉H₁₀N₂O₂

SMILES

C1=CNC(=C1)C2=CC(=C(N2)CO)O

InChI

InChI=1S/C9H10N2O2/c12-5-8-9(13)4-7(11-8)6-2-1-3-10-6/h1-4,10-13H,5H2

InChIKey

RGTPSNSYCJTFLL-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)-5-(1H-pyrrol-2-yl)-1H-pyrrol-3-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 178.07423 Da
Monoisotopic Mass: 0.5
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]+	179.08151	137.1
[M+Na]+	201.06345	147.9
[M+NH4]+	196.10805	143.7
[M+K]+	217.03739	147.1
[M-H]-	177.06695	137.0
[M+Na-2H]-	199.04890	142.4
[M]+	178.07368	138.2
[M]-	178.07478	138.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.