CID 95175

7h-purine, 6-(cyclopentylthio)-

Structural Information

Molecular Formula
C10H12N4S
SMILES
C1CCC(C1)SC2=NC=NC3=C2NC=N3
InChI
InChI=1S/C10H12N4S/c1-2-4-7(3-1)15-10-8-9(12-5-11-8)13-6-14-10/h5-7H,1-4H2,(H,11,12,13,14)
InChIKey
BHOCVNZZUJWSOU-UHFFFAOYSA-N
Compound name
6-cyclopentylsulfanyl-7H-purine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.07826 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08554 145.5
[M+Na]+ 243.06748 157.9
[M+NH4]+ 238.11208 154.1
[M+K]+ 259.04142 152.9
[M-H]- 219.07098 147.3
[M+Na-2H]- 241.05293 151.5
[M]+ 220.07771 148.1
[M]- 220.07881 148.1
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.