CID 3035157

6-methylquinoxaline-2,3-dithiol

Structural Information

Molecular Formula

C₉H₈N₂S₂

SMILES

CC1=CC2=C(C=C1)NC(=S)C(=S)N2

InChI

InChI=1S/C9H8N2S2/c1-5-2-3-6-7(4-5)11-9(13)8(12)10-6/h2-4H,1H3,(H,10,12)(H,11,13)

InChIKey

YTKGLURLTLIZJG-UHFFFAOYSA-N

Compound name

6-methyl-1,4-dihydroquinoxaline-2,3-dithione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 28
Patents: 208.0129 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]+	209.02018	140.0
[M+Na]+	231.00212	154.2
[M+NH4]+	226.04672	149.1
[M+K]+	246.97606	143.2
[M-H]-	207.00562	141.9
[M+Na-2H]-	228.98757	145.3
[M]+	208.01235	143.5
[M]-	208.01345	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe