CID 3010789

2-[(1s,3s)-3-(6-aminopurin-9-yl)-2,2-dimethyl-cyclobutyl]ethanol

Structural Information

Molecular Formula
C13H19N5O
SMILES
CC1([C@@H](C[C@@H]1N2C=NC3=C(N=CN=C32)N)CCO)C
InChI
InChI=1S/C13H19N5O/c1-13(2)8(3-4-19)5-9(13)18-7-17-10-11(14)15-6-16-12(10)18/h6-9,19H,3-5H2,1-2H3,(H2,14,15,16)/t8-,9+/m1/s1
InChIKey
JRMXRJJPQNJWKQ-BDAKNGLRSA-N
Compound name
2-[(1S,3S)-3-(6-aminopurin-9-yl)-2,2-dimethylcyclobutyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

261.15897 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.16625 164.4
[M+Na]+ 284.14819 173.7
[M-H]- 260.15169 165.9
[M+NH4]+ 279.19279 173.7
[M+K]+ 300.12213 171.9
[M+H-H2O]+ 244.15623 150.8
[M+HCOO]- 306.15717 181.5
[M+CH3COO]- 320.17282 200.7
[M+Na-2H]- 282.13364 167.9
[M]+ 261.15842 174.0
[M]- 261.15952 174.0
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.