CID 255105

C-dda

Structural Information

Molecular Formula
C11H15N5O
SMILES
C1C[C@@H](C[C@@H]1CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H15N5O/c12-10-9-11(14-5-13-10)16(6-15-9)8-2-1-7(3-8)4-17/h5-8,17H,1-4H2,(H2,12,13,14)/t7-,8+/m1/s1
InChIKey
JFVMYQAYGGSXPJ-SFYZADRCSA-N
Compound name
[(1R,3S)-3-(6-aminopurin-9-yl)cyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

26
Patents

233.12766 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.13494 150.8
[M+Na]+ 256.11688 160.3
[M-H]- 232.12038 152.5
[M+NH4]+ 251.16148 166.9
[M+K]+ 272.09082 155.9
[M+H-H2O]+ 216.12492 141.9
[M+HCOO]- 278.12586 170.0
[M+CH3COO]- 292.14151 162.3
[M+Na-2H]- 254.10233 153.7
[M]+ 233.12711 149.2
[M]- 233.12821 149.2
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