CID 11777206

Chembl218256

Structural Information

Molecular Formula
C8H11N5O3P
SMILES
C1=NC(=C2C(=N1)N(C=N2)CCOC[P+](=O)O)N
InChI
InChI=1S/C8H10N5O3P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-16-5-17(14)15/h3-4H,1-2,5H2,(H2-,9,10,11,14,15)/p+1
InChIKey
WOUXVUJVFQOOAV-UHFFFAOYSA-O
Compound name
2-(6-aminopurin-9-yl)ethoxymethyl-hydroxy-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

256.05994 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.06722 151.5
[M+Na]+ 279.04916 160.3
[M-H]- 255.05266 149.1
[M+NH4]+ 274.09376 164.8
[M+K]+ 295.02310 152.5
[M+H-H2O]+ 239.05720 143.2
[M+HCOO]- 301.05814 176.4
[M+CH3COO]- 315.07379 186.8
[M+Na-2H]- 277.03461 157.5
[M]+ 256.05939 153.4
[M]- 256.06049 153.4
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

patents stripe