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

1
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 145.4
[M+Na]+ 243.06748 156.0
[M-H]- 219.07098 147.5
[M+NH4]+ 238.11208 163.3
[M+K]+ 259.04142 151.6
[M+H-H2O]+ 203.07552 137.8
[M+HCOO]- 265.07646 160.0
[M+CH3COO]- 279.09211 157.6
[M+Na-2H]- 241.05293 147.3
[M]+ 220.07771 145.7
[M]- 220.07881 145.7
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