CID 451475

C-dd-2-6-dinh2-purinenucleo

Structural Information

Molecular Formula
C11H16N6O
SMILES
C1C[C@@H](C[C@@H]1CO)N2C=NC3=C(N=C(N=C32)N)N
InChI
InChI=1S/C11H16N6O/c12-9-8-10(16-11(13)15-9)17(5-14-8)7-2-1-6(3-7)4-18/h5-7,18H,1-4H2,(H4,12,13,15,16)/t6-,7+/m1/s1
InChIKey
KYRWUVXJWUCGCC-RQJHMYQMSA-N
Compound name
[(1R,3S)-3-(2,6-diaminopurin-9-yl)cyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

248.13857 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14585 154.0
[M+Na]+ 271.12779 163.5
[M-H]- 247.13129 155.8
[M+NH4]+ 266.17239 169.2
[M+K]+ 287.10173 158.8
[M+H-H2O]+ 231.13583 145.2
[M+HCOO]- 293.13677 173.7
[M+CH3COO]- 307.15242 165.2
[M+Na-2H]- 269.11324 156.2
[M]+ 248.13802 151.3
[M]- 248.13912 151.3
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