CID 3041526

54253-31-5

Structural Information

Molecular Formula
C9H9N3S
SMILES
CNC1=NC2=CC=CC=C2NC1=S
InChI
InChI=1S/C9H9N3S/c1-10-8-9(13)12-7-5-3-2-4-6(7)11-8/h2-5H,1H3,(H,10,11)(H,12,13)
InChIKey
YAWXXIUFHZKRIW-UHFFFAOYSA-N
Compound name
3-(methylamino)-1H-quinoxaline-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

191.05171 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.058986 136.1
[M+Na]+ 214.040928 146.4
[M-H]- 190.044434 137.2
[M+NH4]+ 209.085533 154.2
[M+K]+ 230.014868 140.7
[M+H-H2O]+ 174.048970 129.5
[M+HCOO]- 236.049911 152.5
[M+CH3COO]- 250.065561 148.8
[M+Na-2H]- 212.026376 143.2
[M]+ 191.05116142 135.7
[M]- 191.05225858 135.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe