CID 21466

5369-38-0

Structural Information

Molecular Formula

C₁₂H₂₂N₂

SMILES

C[N+](C)(C)C1=CC=C(C=C1)[N+](C)(C)C

InChI

InChI=1S/C12H22N2/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3/q+2

InChIKey

YSHJWDAUUFQRFJ-UHFFFAOYSA-N

Compound name

trimethyl-[4-(trimethylazaniumyl)phenyl]azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 194.1783 Da
Monoisotopic Mass: 1.8
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]+	195.18558	142.1
[M+Na]+	217.16752	158.3
[M+NH4]+	212.21212	153.9
[M+K]+	233.14146	152.9
[M-H]-	193.17102	149.7
[M+Na-2H]-	215.15297	152.8
[M]+	194.17775	147.6
[M]-	194.17885	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe