CID 45479611

Meo-hmp-pp

Structural Information

Molecular Formula
C6H11N3O8P2
SMILES
COC1=NC=C(C(=N1)N)COP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C6H11N3O8P2/c1-15-6-8-2-4(5(7)9-6)3-16-19(13,14)17-18(10,11)12/h2H,3H2,1H3,(H,13,14)(H2,7,8,9)(H2,10,11,12)
InChIKey
GEPXPOUBHUUUNX-UHFFFAOYSA-N
Compound name
(4-amino-2-methoxypyrimidin-5-yl)methyl phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

315.00214 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.00942 164.0
[M+Na]+ 337.99136 170.0
[M-H]- 313.99486 158.9
[M+NH4]+ 333.03596 173.6
[M+K]+ 353.96530 170.7
[M+H-H2O]+ 297.99940 152.3
[M+HCOO]- 360.00034 191.1
[M+CH3COO]- 374.01599 198.6
[M+Na-2H]- 335.97681 167.1
[M]+ 315.00159 167.5
[M]- 315.00269 167.5
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.