CID 498064

6,9-dihydro-3h-purine-6-thiol-

Structural Information

Molecular Formula
C5H6N4S
SMILES
C1=NC2=C(N1)C(N=CN2)S
InChI
InChI=1S/C5H6N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2,5,10H,(H,6,7)(H,8,9)
InChIKey
MMYNJYDWTYJEJU-UHFFFAOYSA-N
Compound name
6,7-dihydro-3H-purine-6-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

154.03131 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03859 128.5
[M+Na]+ 177.02053 139.2
[M-H]- 153.02403 125.7
[M+NH4]+ 172.06513 146.7
[M+K]+ 192.99447 135.0
[M+H-H2O]+ 137.02857 122.0
[M+HCOO]- 199.02951 140.6
[M+CH3COO]- 213.04516 140.7
[M+Na-2H]- 175.00598 133.0
[M]+ 154.03076 126.5
[M]- 154.03186 126.5
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.