CID 3000407

1ac-mep

Structural Information

Molecular Formula
C10H14N3O6P
SMILES
CP(=O)(O)OC[C@@H]1[C@H]2[C@H](O2)[C@@H](O1)N3C=CC(=NC3=O)N
InChI
InChI=1S/C10H14N3O6P/c1-20(15,16)17-4-5-7-8(19-7)9(18-5)13-3-2-6(11)12-10(13)14/h2-3,5,7-9H,4H2,1H3,(H,15,16)(H2,11,12,14)/t5-,7+,8+,9-/m1/s1
InChIKey
GFDLILHVBYNPKW-RSWFSCQZSA-N
Compound name
[(1S,2R,4R,5S)-4-(4-amino-2-oxopyrimidin-1-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methoxy-methylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.062 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.06928 170.7
[M+Na]+ 326.05122 181.2
[M-H]- 302.05472 175.5
[M+NH4]+ 321.09582 178.0
[M+K]+ 342.02516 179.4
[M+H-H2O]+ 286.05926 161.7
[M+HCOO]- 348.06020 192.4
[M+CH3COO]- 362.07585 204.7
[M+Na-2H]- 324.03667 172.9
[M]+ 303.06145 177.7
[M]- 303.06255 177.7
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.