CID 455199

Schembl9479141

Structural Information

Molecular Formula
C11H13N5O
SMILES
C=C1[C@H](C[C@H]1N2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C11H13N5O/c1-6-7(3-17)2-8(6)16-5-15-9-10(12)13-4-14-11(9)16/h4-5,7-8,17H,1-3H2,(H2,12,13,14)/t7-,8-/m1/s1
InChIKey
FKXOFPQQCGUUHV-HTQZYQBOSA-N
Compound name
[(1S,3R)-3-(6-aminopurin-9-yl)-2-methylidenecyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

231.11201 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11929 153.9
[M+Na]+ 254.10123 163.4
[M-H]- 230.10473 155.3
[M+NH4]+ 249.14583 162.2
[M+K]+ 270.07517 161.3
[M+H-H2O]+ 214.10927 139.8
[M+HCOO]- 276.11021 171.8
[M+CH3COO]- 290.12586 164.7
[M+Na-2H]- 252.08668 157.4
[M]+ 231.11146 161.9
[M]- 231.11256 161.9
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