CID 515081

100683-63-4

Structural Information

Molecular Formula
C9H12N5O5P
SMILES
C1C(COP(=O)(O1)O)OCN2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C9H12N5O5P/c10-8-7-9(12-3-11-8)14(4-13-7)5-17-6-1-18-20(15,16)19-2-6/h3-4,6H,1-2,5H2,(H,15,16)(H2,10,11,12)
InChIKey
WQSUYXYJMZWFMK-UHFFFAOYSA-N
Compound name
9-[(2-hydroxy-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)oxymethyl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.05762 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.06490 162.6
[M+Na]+ 324.04684 171.5
[M-H]- 300.05034 164.0
[M+NH4]+ 319.09144 173.1
[M+K]+ 340.02078 171.5
[M+H-H2O]+ 284.05488 150.9
[M+HCOO]- 346.05582 183.7
[M+CH3COO]- 360.07147 199.3
[M+Na-2H]- 322.03229 166.3
[M]+ 301.05707 164.6
[M]- 301.05817 164.6
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.