CID 501025

2-[(6-aminopurin-9-yl)methoxy]ethyl dihydrogen phosphate

Structural Information

Molecular Formula
C8H12N5O5P
SMILES
C1=NC(=C2C(=N1)N(C=N2)COCCOP(=O)(O)O)N
InChI
InChI=1S/C8H12N5O5P/c9-7-6-8(11-3-10-7)13(4-12-6)5-17-1-2-18-19(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
InChIKey
WGADUGLVETYHTG-UHFFFAOYSA-N
Compound name
2-[(6-aminopurin-9-yl)methoxy]ethyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

289.05762 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.06490 160.2
[M+Na]+ 312.04684 168.7
[M-H]- 288.05034 156.3
[M+NH4]+ 307.09144 171.6
[M+K]+ 328.02078 166.9
[M+H-H2O]+ 272.05488 149.6
[M+HCOO]- 334.05582 183.4
[M+CH3COO]- 348.07147 195.9
[M+Na-2H]- 310.03229 165.0
[M]+ 289.05707 164.3
[M]- 289.05817 164.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.