CID 165365722

Dtxsid801046615

Structural Information

Molecular Formula
C6H9N5S
SMILES
CN1C(NC2=C(C1=S)NC=N2)N
InChI
InChI=1S/C6H9N5S/c1-11-5(12)3-4(9-2-8-3)10-6(11)7/h2,6,10H,7H2,1H3,(H,8,9)
InChIKey
AGCBAXQGWNTZMA-UHFFFAOYSA-N
Compound name
2-amino-1-methyl-3,7-dihydro-2H-purine-6-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.05786 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06514 138.8
[M+Na]+ 206.04708 149.1
[M-H]- 182.05058 135.6
[M+NH4]+ 201.09168 155.5
[M+K]+ 222.02102 143.6
[M+H-H2O]+ 166.05512 132.4
[M+HCOO]- 228.05606 149.5
[M+CH3COO]- 242.07171 149.7
[M+Na-2H]- 204.03253 140.1
[M]+ 183.05731 134.1
[M]- 183.05841 134.1
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.