CID 5287610

Db03216

Structural Information

Molecular Formula
C10H11N5O2
SMILES
C1=C[C@@H]([C@H]([C@@H]1N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C10H11N5O2/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6(16)8(5)17/h1-6,8,16-17H,(H2,11,12,13)/t5-,6+,8+/m1/s1
InChIKey
RQPALADHFYHEHK-CHKWXVPMSA-N
Compound name
(1S,2S,5R)-5-(6-aminopurin-9-yl)cyclopent-3-ene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

233.09128 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.09856 148.7
[M+Na]+ 256.08050 159.9
[M-H]- 232.08400 150.2
[M+NH4]+ 251.12510 164.5
[M+K]+ 272.05444 155.3
[M+H-H2O]+ 216.08854 140.7
[M+HCOO]- 278.08948 168.4
[M+CH3COO]- 292.10513 160.8
[M+Na-2H]- 254.06595 152.1
[M]+ 233.09073 148.3
[M]- 233.09183 148.3
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