CID 756690

6-(pyrrolidin-1-yl)-9h-purine

Structural Information

Molecular Formula
C9H11N5
SMILES
C1CCN(C1)C2=NC=NC3=C2NC=N3
InChI
InChI=1S/C9H11N5/c1-2-4-14(3-1)9-7-8(11-5-10-7)12-6-13-9/h5-6H,1-4H2,(H,10,11,12,13)
InChIKey
IQSRNEOAVVBNGN-UHFFFAOYSA-N
Compound name
6-pyrrolidin-1-yl-7H-purine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

57
Patents

189.10144 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.10872 139.6
[M+Na]+ 212.09066 149.2
[M-H]- 188.09416 139.9
[M+NH4]+ 207.13526 156.1
[M+K]+ 228.06460 145.2
[M+H-H2O]+ 172.09870 129.8
[M+HCOO]- 234.09964 157.5
[M+CH3COO]- 248.11529 151.4
[M+Na-2H]- 210.07611 144.8
[M]+ 189.10089 137.2
[M]- 189.10199 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe