CID 472220

2-(6-methylpurin-9-yl)ethoxymethylphosphonic acid

Structural Information

Molecular Formula
C9H13N4O4P
SMILES
CC1=C2C(=NC=N1)N(C=N2)CCOCP(=O)(O)O
InChI
InChI=1S/C9H13N4O4P/c1-7-8-9(11-4-10-7)13(5-12-8)2-3-17-6-18(14,15)16/h4-5H,2-3,6H2,1H3,(H2,14,15,16)
InChIKey
JVAVLZMMAMPADB-UHFFFAOYSA-N
Compound name
2-(6-methylpurin-9-yl)ethoxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

272.06744 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07472 160.9
[M+Na]+ 295.05666 170.3
[M-H]- 271.06016 157.2
[M+NH4]+ 290.10126 173.7
[M+K]+ 311.03060 167.8
[M+H-H2O]+ 255.06470 150.6
[M+HCOO]- 317.06564 183.1
[M+CH3COO]- 331.08129 191.8
[M+Na-2H]- 293.04211 164.9
[M]+ 272.06689 165.7
[M]- 272.06799 165.7
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.