CID 19889071

61960-95-0

Structural Information

Molecular Formula

C₁₀H₁₆N₂

SMILES

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

InChI

InChI=1S/C10H16N2/c1-10(2,3)7-5-4-6-8(11)9(7)12/h4-6H,11-12H2,1-3H3

InChIKey

BBXDHQVTOYIHJA-UHFFFAOYSA-N

Compound name

3-tert-butylbenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 164.13135 Da
Monoisotopic Mass: 2.2
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]+	165.13863	137.3
[M+Na]+	187.12057	148.4
[M+NH4]+	182.16517	145.8
[M+K]+	203.09451	142.9
[M-H]-	163.12407	140.3
[M+Na-2H]-	185.10602	143.7
[M]+	164.13080	139.6
[M]-	164.13190	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe