CID 70525

1010-19-1

Structural Information

Molecular Formula

C₁₂H₂₀N

SMILES

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

InChI

InChI=1S/C12H20N/c1-4-13(5-2,6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3/q+1

InChIKey

JJPVWQWOOQYHCB-UHFFFAOYSA-N

Compound name

triethyl(phenyl)azanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 3696
Patents: 178.15958 Da
Monoisotopic Mass: 2.9
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]+	179.16686	139.7
[M+Na]+	201.14880	145.8
[M-H]-	177.15230	144.7
[M+NH4]+	196.19340	160.4
[M+K]+	217.12274	138.9
[M+H-H2O]+	161.15684	136.7
[M+HCOO]-	223.15778	163.9
[M+CH3COO]-	237.17343	182.0
[M+Na-2H]-	199.13425	150.1
[M]+	178.15903	139.8
[M]-	178.16013	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe