CID 448820

5-aminoimidazole ribonucleoside

Structural Information

Molecular Formula
C8H13N3O4
SMILES
C1=C(N(C=N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N
InChI
InChI=1S/C8H13N3O4/c9-5-1-10-3-11(5)8-7(14)6(13)4(2-12)15-8/h1,3-4,6-8,12-14H,2,9H2/t4-,6-,7-,8-/m1/s1
InChIKey
NKYAAYKKNSYIIW-XVFCMESISA-N
Compound name
(2R,3R,4S,5R)-2-(5-aminoimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

79
Patents

215.0906 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.09788 144.7
[M+Na]+ 238.07982 152.5
[M-H]- 214.08332 146.0
[M+NH4]+ 233.12442 160.5
[M+K]+ 254.05376 150.8
[M+H-H2O]+ 198.08786 138.3
[M+HCOO]- 260.08880 162.7
[M+CH3COO]- 274.10445 180.9
[M+Na-2H]- 236.06527 145.1
[M]+ 215.09005 142.0
[M]- 215.09115 142.0
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