CID 493018

[(2s,4r)-4-(2,6-diaminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol

Structural Information

Molecular Formula
C12H16N6O
SMILES
C1[C@@H](C2CC2[C@@H]1N3C=NC4=C(N=C(N=C43)N)N)CO
InChI
InChI=1S/C12H16N6O/c13-10-9-11(17-12(14)16-10)18(4-15-9)8-1-5(3-19)6-2-7(6)8/h4-8,19H,1-3H2,(H4,13,14,16,17)/t5-,6?,7?,8-/m1/s1
InChIKey
IXSPPVUJKYQCMU-LFHVAVFRSA-N
Compound name
[(2S,4R)-4-(2,6-diaminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.13855 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14583 163.7
[M+Na]+ 283.12777 176.7
[M-H]- 259.13127 167.1
[M+NH4]+ 278.17237 175.2
[M+K]+ 299.10171 168.5
[M+H-H2O]+ 243.13581 156.6
[M+HCOO]- 305.13675 182.9
[M+CH3COO]- 319.15240 174.6
[M+Na-2H]- 281.11322 165.7
[M]+ 260.13800 165.6
[M]- 260.13910 165.6
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.