CID 76548

3102-87-2

Structural Information

Molecular Formula

C₁₀H₁₆N₂

SMILES

CC1=C(C(=C(C(=C1N)C)C)N)C

InChI

InChI=1S/C10H16N2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h11-12H2,1-4H3

InChIKey

WCZNKVPCIFMXEQ-UHFFFAOYSA-N

Compound name

2,3,5,6-tetramethylbenzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 37
References: 5472
Patents: 164.13135 Da
Monoisotopic Mass: 2.0
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	136.5
[M+Na]+	187.12057	149.0
[M+NH4]+	182.16517	145.2
[M+K]+	203.09451	142.9
[M-H]-	163.12407	140.3
[M+Na-2H]-	185.10602	142.3
[M]+	164.13080	139.3
[M]-	164.13190	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe