CID 11972579

[(1s,2s)-1-[(6-aminopurin-9-yl)methyl]-2-methyl-cyclopropoxy]methylphosphonic acid

Structural Information

Molecular Formula
C11H16N5O4P
SMILES
C[C@H]1C[C@]1(CN2C=NC3=C(N=CN=C32)N)OCP(=O)(O)O
InChI
InChI=1S/C11H16N5O4P/c1-7-2-11(7,20-6-21(17,18)19)3-16-5-15-8-9(12)13-4-14-10(8)16/h4-5,7H,2-3,6H2,1H3,(H2,12,13,14)(H2,17,18,19)/t7-,11+/m0/s1
InChIKey
DGAUZGVGPYUZFW-WRWORJQWSA-N
Compound name
[(1S,2S)-1-[(6-aminopurin-9-yl)methyl]-2-methylcyclopropyl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.094 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10128 179.4
[M+Na]+ 336.08322 190.5
[M-H]- 312.08672 179.5
[M+NH4]+ 331.12782 187.5
[M+K]+ 352.05716 185.2
[M+H-H2O]+ 296.09126 170.3
[M+HCOO]- 358.09220 201.1
[M+CH3COO]- 372.10785 204.3
[M+Na-2H]- 334.06867 182.3
[M]+ 313.09345 185.0
[M]- 313.09455 185.0
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.