CID 3007910

(2r,3r)-6-amino-2-(hydroxymethyl)-3,3a,4a,9a-tetrahydro-2h-furo[[?]:[?]]oxazolo[[?]]pyrimidin-3-ol

Structural Information

Molecular Formula
C9H13N3O4
SMILES
C1=CN2C3C([C@@H]([C@H](O3)CO)O)OC2N=C1N
InChI
InChI=1S/C9H13N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-9,13-14H,3H2,(H2,10,11)/t4-,6-,7?,8?,9?/m1/s1
InChIKey
NIXQLVDRUYQUIR-QHHDKMPFSA-N
Compound name
(4R,5R)-10-amino-4-(hydroxymethyl)-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-9,11-dien-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

227.0906 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.09788 146.8
[M+Na]+ 250.07982 155.4
[M-H]- 226.08332 148.3
[M+NH4]+ 245.12442 163.7
[M+K]+ 266.05376 154.5
[M+H-H2O]+ 210.08786 141.5
[M+HCOO]- 272.08880 161.7
[M+CH3COO]- 286.10445 158.5
[M+Na-2H]- 248.06527 150.0
[M]+ 227.09005 146.0
[M]- 227.09115 146.0
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.