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

0
Patents

191.05171 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.05899 137.2
[M+Na]+ 214.04093 151.2
[M+NH4]+ 209.08553 146.3
[M+K]+ 230.01487 142.0
[M-H]- 190.04443 139.9
[M+Na-2H]- 212.02638 144.4
[M]+ 191.05116 140.4
[M]- 191.05226 140.4
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

No patent data available for this compound.