CID 10249

Nicotyrine

Structural Information

Molecular Formula

C₁₀H₁₀N₂

SMILES

CN1C=CC=C1C2=CN=CC=C2

InChI

InChI=1S/C10H10N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2-8H,1H3

InChIKey

RYFOJXFXERAMLS-UHFFFAOYSA-N

Compound name

3-(1-methylpyrrol-2-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 14
References: 483
Patents: 158.0844 Da
Monoisotopic Mass: 1.3
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	131.3
[M+Na]+	181.073618	140.7
[M-H]-	157.077124	135.8
[M+NH4]+	176.118223	151.4
[M+K]+	197.047558	137.8
[M+H-H2O]+	141.081660	123.5
[M+HCOO]-	203.082601	155.3
[M+CH3COO]-	217.098251	145.6
[M+Na-2H]-	179.059066	138.3
[M]+	158.08385142	131.2
[M]-	158.08494858	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe