CID 481110

[(2s,3r,4r)-3-amino-4-(6-aminopurin-9-yl)oxetan-2-yl]methanol

Structural Information

Molecular Formula
C9H12N6O2
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@H](O3)CO)N)N
InChI
InChI=1S/C9H12N6O2/c10-5-4(1-16)17-9(5)15-3-14-6-7(11)12-2-13-8(6)15/h2-5,9,16H,1,10H2,(H2,11,12,13)/t4-,5-,9-/m1/s1
InChIKey
IFBWJERWFQVIPE-UDJQAZALSA-N
Compound name
[(2S,3R,4R)-3-amino-4-(6-aminopurin-9-yl)oxetan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.10217 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10945 153.0
[M+Na]+ 259.09139 161.7
[M-H]- 235.09489 154.8
[M+NH4]+ 254.13599 159.1
[M+K]+ 275.06533 162.0
[M+H-H2O]+ 219.09943 138.2
[M+HCOO]- 281.10037 170.8
[M+CH3COO]- 295.11602 163.6
[M+Na-2H]- 257.07684 157.4
[M]+ 236.10162 161.2
[M]- 236.10272 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.