CID 4206586

N-methylmyosmine(1+)

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

CN1CCC=C1C2=CN=CC=C2

InChI

InChI=1S/C10H12N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4-6,8H,3,7H2,1H3

InChIKey

TVKHGXPZBZKXFM-UHFFFAOYSA-N

Compound name

3-(1-methyl-2,3-dihydropyrrol-5-yl)pyridine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 50
Patents: 160.10005 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]+	161.10733	133.1
[M+Na]+	183.08927	141.4
[M-H]-	159.09277	137.2
[M+NH4]+	178.13387	153.0
[M+K]+	199.06321	138.8
[M+H-H2O]+	143.09731	125.2
[M+HCOO]-	205.09825	155.6
[M+CH3COO]-	219.11390	146.8
[M+Na-2H]-	181.07472	139.1
[M]+	160.09950	131.6
[M]-	160.10060	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe