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]+ 340.05403 173.5
[M+Na]+ 362.03597 179.3
[M-H]- 338.03947 172.6
[M+NH4]+ 357.08057 178.4
[M+K]+ 378.00991 180.4
[M+H-H2O]+ 322.04401 162.6
[M+HCOO]- 384.04495 190.0
[M+CH3COO]- 398.06060 203.2
[M+Na-2H]- 360.02142 174.7
[M]+ 339.04620 173.3
[M]- 339.04730 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