CID 451528

Oh-ohme-oxetanyl-a

Structural Information

Molecular Formula
C9H11N5O3
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H]([C@H](O3)CO)O)N
InChI
InChI=1S/C9H11N5O3/c10-7-5-8(12-2-11-7)14(3-13-5)9-6(16)4(1-15)17-9/h2-4,6,9,15-16H,1H2,(H2,10,11,12)/t4-,6+,9-/m1/s1
InChIKey
YUKWAKMMRXYSTG-MFCLVGODSA-N
Compound name
(2R,3S,4R)-2-(6-aminopurin-9-yl)-4-(hydroxymethyl)oxetan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

237.08618 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.09346 150.5
[M+Na]+ 260.07540 159.5
[M-H]- 236.07890 151.5
[M+NH4]+ 255.12000 156.5
[M+K]+ 276.04934 159.9
[M+H-H2O]+ 220.08344 136.5
[M+HCOO]- 282.08438 166.8
[M+CH3COO]- 296.10003 161.2
[M+Na-2H]- 258.06085 155.1
[M]+ 237.08563 159.9
[M]- 237.08673 159.9
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

No patent data available for this compound.