CID 49767566

[(4r)-4-(6-aminopurin-9-yl)-1-(hydroxymethyl)-2-methyl-cyclopent-2-en-1-yl]methanol

Structural Information

Molecular Formula
C13H17N5O2
SMILES
CC1=C[C@@H](CC1(CO)CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C13H17N5O2/c1-8-2-9(3-13(8,4-19)5-20)18-7-17-10-11(14)15-6-16-12(10)18/h2,6-7,9,19-20H,3-5H2,1H3,(H2,14,15,16)/t9-/m0/s1
InChIKey
ZGRGERAOWYGZII-VIFPVBQESA-N
Compound name
[(4R)-4-(6-aminopurin-9-yl)-1-(hydroxymethyl)-2-methylcyclopent-2-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.1382 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.14548 160.8
[M+Na]+ 298.12742 171.8
[M-H]- 274.13092 162.2
[M+NH4]+ 293.17202 177.0
[M+K]+ 314.10136 166.7
[M+H-H2O]+ 258.13546 152.8
[M+HCOO]- 320.13640 179.7
[M+CH3COO]- 334.15205 172.2
[M+Na-2H]- 296.11287 164.1
[M]+ 275.13765 161.8
[M]- 275.13875 161.8
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

No patent data available for this compound.