CID 3157490

383136-44-5

Structural Information

Molecular Formula

C₁₀H₈N₂O

SMILES

C1=CC=NC(=C1)N2C=CC=C2C=O

InChI

InChI=1S/C10H8N2O/c13-8-9-4-3-7-12(9)10-5-1-2-6-11-10/h1-8H

InChIKey

ORZSMKFKJJITGC-UHFFFAOYSA-N

Compound name

1-pyridin-2-ylpyrrole-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 172.06366 Da
Monoisotopic Mass: 1.4
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]+	173.070936	133.7
[M+Na]+	195.052878	143.2
[M-H]-	171.056384	138.2
[M+NH4]+	190.097483	153.0
[M+K]+	211.026818	140.2
[M+H-H2O]+	155.060920	125.7
[M+HCOO]-	217.061861	158.0
[M+CH3COO]-	231.077511	147.8
[M+Na-2H]-	193.038326	140.6
[M]+	172.06311142	134.3
[M]-	172.06420858	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe