CID 49767569

[(1s,4r)-4-(6-aminopurin-9-yl)-1,2-dimethyl-cyclopent-2-en-1-yl]methanol

Structural Information

Molecular Formula
C13H17N5O
SMILES
CC1=C[C@@H](C[C@]1(C)CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C13H17N5O/c1-8-3-9(4-13(8,2)5-19)18-7-17-10-11(14)15-6-16-12(10)18/h3,6-7,9,19H,4-5H2,1-2H3,(H2,14,15,16)/t9-,13+/m0/s1
InChIKey
GXUNPSFBRZXCKA-TVQRCGJNSA-N
Compound name
[(1S,4R)-4-(6-aminopurin-9-yl)-1,2-dimethylcyclopent-2-en-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.1433 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.15058 158.0
[M+Na]+ 282.13252 169.6
[M-H]- 258.13602 160.6
[M+NH4]+ 277.17712 175.5
[M+K]+ 298.10646 164.7
[M+H-H2O]+ 242.14056 149.7
[M+HCOO]- 304.14150 178.1
[M+CH3COO]- 318.15715 170.1
[M+Na-2H]- 280.11797 161.4
[M]+ 259.14275 159.3
[M]- 259.14385 159.3
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

No patent data available for this compound.