CID 3000233

126199-02-8

Structural Information

Molecular Formula
C10H13N5O4
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@]([C@H](O3)CO)(CO)O)N
InChI
InChI=1S/C10H13N5O4/c11-7-6-8(13-3-12-7)15(4-14-6)9-10(18,2-17)5(1-16)19-9/h3-5,9,16-18H,1-2H2,(H2,11,12,13)/t5-,9-,10-/m1/s1
InChIKey
MCPYANYIZXDZFD-UAINPKIQSA-N
Compound name
(2R,3R,4R)-2-(6-aminopurin-9-yl)-3,4-bis(hydroxymethyl)oxetan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.09674 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.104016 159.4
[M+Na]+ 290.085958 168.1
[M-H]- 266.089464 159.3
[M+NH4]+ 285.130563 165.3
[M+K]+ 306.059898 168.3
[M+H-H2O]+ 250.094000 146.2
[M+HCOO]- 312.094941 174.0
[M+CH3COO]- 326.110591 194.5
[M+Na-2H]- 288.071406 164.3
[M]+ 267.09619142 169.2
[M]- 267.09728858 169.2
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.