CID 52026

73664-10-5

Structural Information

Molecular Formula

C₁₂H₂₀N

SMILES

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

InChI

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

InChIKey

FIPBSNCYSKFQBO-UHFFFAOYSA-N

Compound name

diethyl-methyl-(3-methylphenyl)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
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]+	179.166856	138.8
[M+Na]+	201.148798	145.9
[M-H]-	177.152304	144.2
[M+NH4]+	196.193403	159.9
[M+K]+	217.122738	139.0
[M+H-H2O]+	161.156840	136.1
[M+HCOO]-	223.157781	163.0
[M+CH3COO]-	237.173431	183.0
[M+Na-2H]-	199.134246	148.6
[M]+	178.15903142	139.3
[M]-	178.16012858	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe