CID 513622

Peea

Structural Information

Molecular Formula
C9H14N5O4P
SMILES
C1=NC(=C2C(=N1)N(C=N2)CCOCCP(=O)(O)O)N
InChI
InChI=1S/C9H14N5O4P/c10-8-7-9(12-5-11-8)14(6-13-7)1-2-18-3-4-19(15,16)17/h5-6H,1-4H2,(H2,10,11,12)(H2,15,16,17)
InChIKey
VEOIIOUWYNGYDA-UHFFFAOYSA-N
Compound name
2-[2-(6-aminopurin-9-yl)ethoxy]ethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

476
Patents

287.07834 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08562 163.3
[M+Na]+ 310.06756 171.7
[M-H]- 286.07106 159.2
[M+NH4]+ 305.11216 174.9
[M+K]+ 326.04150 168.9
[M+H-H2O]+ 270.07560 152.7
[M+HCOO]- 332.07654 186.0
[M+CH3COO]- 346.09219 196.6
[M+Na-2H]- 308.05301 167.2
[M]+ 287.07779 166.3
[M]- 287.07889 166.3
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

patents stripe