CID 3409977

15432-27-6

Structural Information

Molecular Formula

C₁₄H₁₃N₂

SMILES

C[N+]1=CC=CC(=C1)C2=CC3=CC=CC=C3N2

InChI

InChI=1S/C14H13N2/c1-16-8-4-6-12(10-16)14-9-11-5-2-3-7-13(11)15-14/h2-10,15H,1H3/q+1

InChIKey

FBJCAFPXSAFWSL-UHFFFAOYSA-N

Compound name

2-(1-methylpyridin-1-ium-3-yl)-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 209.10788 Da
Monoisotopic Mass: 2.8
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]+	210.11516	147.1
[M+Na]+	232.09710	157.4
[M-H]-	208.10060	151.9
[M+NH4]+	227.14170	165.3
[M+K]+	248.07104	146.1
[M+H-H2O]+	192.10514	141.8
[M+HCOO]-	254.10608	169.0
[M+CH3COO]-	268.12173	177.9
[M+Na-2H]-	230.08255	156.8
[M]+	209.10733	146.0
[M]-	209.10843	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe