CID 360675

Cmp-ribodialdehyde

Structural Information

Molecular Formula
C9H14N3O9P
SMILES
C1=CN(C(=O)N=C1N)C2C(OC(C(O2)COP(=O)(O)O)O)O
InChI
InChI=1S/C9H14N3O9P/c10-5-1-2-12(9(15)11-5)6-8(14)21-7(13)4(20-6)3-19-22(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)
InChIKey
RQYFOSYRHSPBRR-UHFFFAOYSA-N
Compound name
[6-(4-amino-2-oxopyrimidin-1-yl)-3,5-dihydroxy-1,4-dioxan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

339.04675 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.054026 173.5
[M+Na]+ 362.035968 179.3
[M-H]- 338.039474 172.6
[M+NH4]+ 357.080573 178.4
[M+K]+ 378.009908 180.4
[M+H-H2O]+ 322.044010 162.6
[M+HCOO]- 384.044951 190.0
[M+CH3COO]- 398.060601 203.2
[M+Na-2H]- 360.021416 174.7
[M]+ 339.04620142 173.3
[M]- 339.04729858 173.3
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

patents stripe