CID 490268

[(1r,3s)-3-(2,6-diamino-purin-9-ylmethyl)-2,2-dimethyl-cyclobutyl]-methanol

Structural Information

Molecular Formula
C13H20N6O
SMILES
CC1([C@H](C[C@H]1CO)CN2C=NC3=C(N=C(N=C32)N)N)C
InChI
InChI=1S/C13H20N6O/c1-13(2)7(3-8(13)5-20)4-19-6-16-9-10(14)17-12(15)18-11(9)19/h6-8,20H,3-5H2,1-2H3,(H4,14,15,17,18)/t7-,8+/m1/s1
InChIKey
HRRVYWGOJHEYJI-SFYZADRCSA-N
Compound name
[(1R,3S)-3-[(2,6-diaminopurin-9-yl)methyl]-2,2-dimethylcyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.16986 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.17714 171.2
[M+Na]+ 299.15908 180.1
[M-H]- 275.16258 172.6
[M+NH4]+ 294.20368 179.4
[M+K]+ 315.13302 178.2
[M+H-H2O]+ 259.16712 157.2
[M+HCOO]- 321.16806 188.5
[M+CH3COO]- 335.18371 206.4
[M+Na-2H]- 297.14453 173.4
[M]+ 276.16931 179.5
[M]- 276.17041 179.5
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.