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

literature stripe

Patent stripe

patents stripe