CID 512300

Apmpa

Structural Information

Molecular Formula
C9H15N6O4P
SMILES
C1=NC(=C2C(=N1)N(C=N2)CC(CN)OCP(=O)(O)O)N
InChI
InChI=1S/C9H15N6O4P/c10-1-6(19-5-20(16,17)18)2-15-4-14-7-8(11)12-3-13-9(7)15/h3-4,6H,1-2,5,10H2,(H2,11,12,13)(H2,16,17,18)
InChIKey
ULRASSNVJHWKCB-UHFFFAOYSA-N
Compound name
[1-amino-3-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

302.08923 Da
Monoisotopic Mass

-5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.09651 165.2
[M+Na]+ 325.07845 172.3
[M-H]- 301.08195 161.0
[M+NH4]+ 320.12305 175.6
[M+K]+ 341.05239 170.1
[M+H-H2O]+ 285.08649 154.6
[M+HCOO]- 347.08743 187.4
[M+CH3COO]- 361.10308 202.4
[M+Na-2H]- 323.06390 168.0
[M]+ 302.08868 166.0
[M]- 302.08978 166.0
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.