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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.02018 136.3
[M+Na]+ 231.00212 148.2
[M-H]- 207.00562 136.1
[M+NH4]+ 226.04672 153.8
[M+K]+ 246.97606 139.8
[M+H-H2O]+ 191.01016 131.2
[M+HCOO]- 253.01110 144.8
[M+CH3COO]- 267.02675 148.3
[M+Na-2H]- 228.98757 139.5
[M]+ 208.01235 135.4
[M]- 208.01345 135.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe