CID 45814

63977-64-0

Structural Information

Molecular Formula

C₁₁H₁₈N

SMILES

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

InChI

InChI=1S/C11H18N/c1-4-12(3,5-2)11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3/q+1

InChIKey

VXXRVQGAGIGJHM-UHFFFAOYSA-N

Compound name

diethyl-methyl-phenylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 164.14392 Da
Monoisotopic Mass: 2.6
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]+	165.15120	134.9
[M+Na]+	187.13314	141.4
[M-H]-	163.13664	140.0
[M+NH4]+	182.17774	156.2
[M+K]+	203.10708	134.8
[M+H-H2O]+	147.14118	132.1
[M+HCOO]-	209.14212	159.4
[M+CH3COO]-	223.15777	178.9
[M+Na-2H]-	185.11859	145.8
[M]+	164.14337	134.6
[M]-	164.14447	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe