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: 48
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	134.4
[M+Na]+	183.08927	148.2
[M+NH4]+	178.13387	143.7
[M+K]+	199.06321	142.6
[M-H]-	159.09277	137.9
[M+Na-2H]-	181.07472	143.3
[M]+	160.09950	137.4
[M]-	160.10060	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe