CID 103249

1,4-benzenediamine, n,n,n'-tris(1-methylethyl)-

Structural Information

Molecular Formula

C₁₅H₂₆N₂

SMILES

CC(C)NC1=CC=C(C=C1)N(C(C)C)C(C)C

InChI

InChI=1S/C15H26N2/c1-11(2)16-14-7-9-15(10-8-14)17(12(3)4)13(5)6/h7-13,16H,1-6H3

InChIKey

MXRWEWQQJFBOJF-UHFFFAOYSA-N

Compound name

1-N,4-N,4-N-tri(propan-2-yl)benzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 7
Patents: 234.2096 Da
Monoisotopic Mass: 4.4
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	160.9
[M+Na]+	257.198818	164.3
[M-H]-	233.202324	165.3
[M+NH4]+	252.243423	178.8
[M+K]+	273.172758	163.8
[M+H-H2O]+	217.206860	153.7
[M+HCOO]-	279.207801	182.9
[M+CH3COO]-	293.223451	206.5
[M+Na-2H]-	255.184266	161.1
[M]+	234.20905142	161.2
[M]-	234.21014858	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe