CID 135480739

2',2'dime-pmeg

Structural Information

Molecular Formula
C10H16N5O5P
SMILES
CC(C)(CN1C=NC2=C1N=C(NC2=O)N)OCP(=O)(O)O
InChI
InChI=1S/C10H16N5O5P/c1-10(2,20-5-21(17,18)19)3-15-4-12-6-7(15)13-9(11)14-8(6)16/h4H,3,5H2,1-2H3,(H2,17,18,19)(H3,11,13,14,16)
InChIKey
XAXHZYGYDUUQAD-UHFFFAOYSA-N
Compound name
[1-(2-amino-6-oxo-1H-purin-9-yl)-2-methylpropan-2-yl]oxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.0889 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.09618 173.8
[M+Na]+ 340.07812 182.3
[M-H]- 316.08162 169.0
[M+NH4]+ 335.12272 183.6
[M+K]+ 356.05206 179.4
[M+H-H2O]+ 300.08616 164.3
[M+HCOO]- 362.08710 193.1
[M+CH3COO]- 376.10275 200.7
[M+Na-2H]- 338.06357 177.5
[M]+ 317.08835 175.7
[M]- 317.08945 175.7
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.