CID 135482174

441785-24-6

Structural Information

Molecular Formula
C10H14N5O5P
SMILES
C1CC1(CN2C=NC3=C2N=C(NC3=O)N)OCP(=O)(O)O
InChI
InChI=1S/C10H14N5O5P/c11-9-13-7-6(8(16)14-9)12-4-15(7)3-10(1-2-10)20-5-21(17,18)19/h4H,1-3,5H2,(H2,17,18,19)(H3,11,13,14,16)
InChIKey
IMAMTECZRBMXGW-UHFFFAOYSA-N
Compound name
[1-[(2-amino-6-oxo-1H-purin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

16
Patents

315.07324 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.08052 176.8
[M+Na]+ 338.06246 187.8
[M-H]- 314.06596 175.8
[M+NH4]+ 333.10706 184.0
[M+K]+ 354.03640 182.0
[M+H-H2O]+ 298.07050 168.2
[M+HCOO]- 360.07144 197.6
[M+CH3COO]- 374.08709 201.0
[M+Na-2H]- 336.04791 180.1
[M]+ 315.07269 181.0
[M]- 315.07379 181.0
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.