CID 513609

Hpmpma

Structural Information

Molecular Formula
C10H16N5O5P
SMILES
CC1=NC(=C2C(=N1)N(C=N2)CC(CO)OCP(=O)(O)O)N
InChI
InChI=1S/C10H16N5O5P/c1-6-13-9(11)8-10(14-6)15(4-12-8)2-7(3-16)20-5-21(17,18)19/h4,7,16H,2-3,5H2,1H3,(H2,11,13,14)(H2,17,18,19)
InChIKey
MPKNVWBWEDPSJA-UHFFFAOYSA-N
Compound name
[1-(6-amino-2-methylpurin-9-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.0889 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.09618 171.2
[M+Na]+ 340.07812 178.9
[M-H]- 316.08162 166.2
[M+NH4]+ 335.12272 181.0
[M+K]+ 356.05206 176.6
[M+H-H2O]+ 300.08616 161.1
[M+HCOO]- 362.08710 191.2
[M+CH3COO]- 376.10275 201.9
[M+Na-2H]- 338.06357 172.7
[M]+ 317.08835 173.9
[M]- 317.08945 173.9
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.