CID 86262

3,5-dimethylthio-2,6-diaminotoluene

Structural Information

Molecular Formula

C₉H₁₄N₂S₂

SMILES

CC1=C(C(=CC(=C1N)SC)SC)N

InChI

InChI=1S/C9H14N2S2/c1-5-8(10)6(12-2)4-7(13-3)9(5)11/h4H,10-11H2,1-3H3

InChIKey

TXDBDYPHJXUHEO-UHFFFAOYSA-N

Compound name

2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3408
Patents: 214.05984 Da
Monoisotopic Mass: 1.9
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]+	215.06712	144.4
[M+Na]+	237.04906	155.0
[M+NH4]+	232.09366	153.6
[M+K]+	253.02300	145.4
[M-H]-	213.05256	148.3
[M+Na-2H]-	235.03451	148.8
[M]+	214.05929	147.9
[M]-	214.06039	147.9

Literature stripe

literature stripe

Patent stripe

patents stripe