CID 16062093

(1r,5r)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)cyclopent-2-en-1-ol

Structural Information

Molecular Formula
C11H13N5O2
SMILES
C1[C@H]([C@@H](C=C1CO)O)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H13N5O2/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-6(3-17)2-8(7)18/h2,4-5,7-8,17-18H,1,3H2,(H2,12,13,14)/t7-,8-/m1/s1
InChIKey
ZNJMUZOKXVBFLY-HTQZYQBOSA-N
Compound name
(1R,5R)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)cyclopent-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

247.10692 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.114196 153.1
[M+Na]+ 270.096138 163.8
[M-H]- 246.099644 154.4
[M+NH4]+ 265.140743 168.2
[M+K]+ 286.070078 159.0
[M+H-H2O]+ 230.104180 144.8
[M+HCOO]- 292.105121 172.4
[M+CH3COO]- 306.120771 164.7
[M+Na-2H]- 268.081586 156.0
[M]+ 247.10637142 152.9
[M]- 247.10746858 152.9
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.