CID 5270770

441785-21-3

Structural Information

Molecular Formula
C10H14N5O4P
SMILES
C1CC1(CN2C=NC3=C(N=CN=C32)N)OCP(=O)(O)O
InChI
InChI=1S/C10H14N5O4P/c11-8-7-9(13-4-12-8)15(5-14-7)3-10(1-2-10)19-6-20(16,17)18/h4-5H,1-3,6H2,(H2,11,12,13)(H2,16,17,18)
InChIKey
KVKDQCZZONJMEE-UHFFFAOYSA-N
Compound name
[1-[(6-aminopurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

31
Patents

299.07834 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08562 174.6
[M+Na]+ 322.06756 185.2
[M-H]- 298.07106 174.4
[M+NH4]+ 317.11216 182.9
[M+K]+ 338.04150 180.3
[M+H-H2O]+ 282.07560 165.3
[M+HCOO]- 344.07654 196.6
[M+CH3COO]- 358.09219 200.2
[M+Na-2H]- 320.05301 178.6
[M]+ 299.07779 179.4
[M]- 299.07889 179.4
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.