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]+ 221.085536 145.4
[M+Na]+ 243.067478 156.0
[M-H]- 219.070984 147.5
[M+NH4]+ 238.112083 163.3
[M+K]+ 259.041418 151.6
[M+H-H2O]+ 203.075520 137.8
[M+HCOO]- 265.076461 160.0
[M+CH3COO]- 279.092111 157.6
[M+Na-2H]- 241.052926 147.3
[M]+ 220.07771142 145.7
[M]- 220.07880858 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