CID 3043347

Benzenemethanamine, 4-amino-3-(1,1-dimethylethyl)-n,n-diethyl-, dihydrochloride

Structural Information

Molecular Formula

C₁₅H₂₆N₂

SMILES

CCN(CC)CC1=CC(=C(C=C1)N)C(C)(C)C

InChI

InChI=1S/C15H26N2/c1-6-17(7-2)11-12-8-9-14(16)13(10-12)15(3,4)5/h8-10H,6-7,11,16H2,1-5H3

InChIKey

RFLXWHSCUAIIOI-UHFFFAOYSA-N

Compound name

2-tert-butyl-4-(diethylaminomethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 234.2096 Da
Monoisotopic Mass: 3.5
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]+	235.216876	159.6
[M+Na]+	257.198818	165.4
[M-H]-	233.202324	164.1
[M+NH4]+	252.243423	178.1
[M+K]+	273.172758	163.5
[M+H-H2O]+	217.206860	153.1
[M+HCOO]-	279.207801	182.6
[M+CH3COO]-	293.223451	204.1
[M+Na-2H]-	255.184266	162.6
[M]+	234.20905142	160.7
[M]-	234.21014858	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe