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

literature stripe

Patent stripe

patents stripe