CID 3041921

58801-93-7

Structural Information

Molecular Formula

C₁₀H₁₆N

SMILES

CC(C)(C)C1=CC=CC=[N+]1C

InChI

InChI=1S/C10H16N/c1-10(2,3)9-7-5-6-8-11(9)4/h5-8H,1-4H3/q+1

InChIKey

UBMMGNZJDSEDMI-UHFFFAOYSA-N

Compound name

2-tert-butyl-1-methylpyridin-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 150.12828 Da
Monoisotopic Mass: 2.7
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]+	151.13556	132.8
[M+Na]+	173.11750	141.4
[M-H]-	149.12100	135.9
[M+NH4]+	168.16210	153.2
[M+K]+	189.09144	134.4
[M+H-H2O]+	133.12554	130.1
[M+HCOO]-	195.12648	154.0
[M+CH3COO]-	209.14213	171.3
[M+Na-2H]-	171.10295	143.0
[M]+	150.12773	132.3
[M]-	150.12883	132.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe