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 136.1
[M+Na]+ 214.04093 146.4
[M-H]- 190.04443 137.2
[M+NH4]+ 209.08553 154.2
[M+K]+ 230.01487 140.7
[M+H-H2O]+ 174.04897 129.5
[M+HCOO]- 236.04991 152.5
[M+CH3COO]- 250.06556 148.8
[M+Na-2H]- 212.02638 143.2
[M]+ 191.05116 135.7
[M]- 191.05226 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