CID 451986

2',3'-dideoxynebularine

Structural Information

Molecular Formula
C10H12N4O2
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=NC3=CN=CN=C32
InChI
InChI=1S/C10H12N4O2/c15-4-7-1-2-9(16-7)14-6-13-8-3-11-5-12-10(8)14/h3,5-7,9,15H,1-2,4H2/t7-,9+/m0/s1
InChIKey
GKYNWIQWAXROLY-IONNQARKSA-N
Compound name
[(2S,5R)-5-purin-9-yloxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5
Patents

220.09602 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10330 145.4
[M+Na]+ 243.08524 155.3
[M-H]- 219.08874 147.8
[M+NH4]+ 238.12984 160.9
[M+K]+ 259.05918 153.0
[M+H-H2O]+ 203.09328 136.8
[M+HCOO]- 265.09422 163.7
[M+CH3COO]- 279.10987 157.7
[M+Na-2H]- 241.07069 150.0
[M]+ 220.09547 146.5
[M]- 220.09657 146.5
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