CID 513614

Hpea

Structural Information

Molecular Formula
C7H10N5O4P
SMILES
C1=NC(=C2C(=N1)N(C=N2)CC(O)P(=O)(O)O)N
InChI
InChI=1S/C7H10N5O4P/c8-6-5-7(10-2-9-6)12(3-11-5)1-4(13)17(14,15)16/h2-4,13H,1H2,(H2,8,9,10)(H2,14,15,16)
InChIKey
XLNVTSBXZILISA-UHFFFAOYSA-N
Compound name
[2-(6-aminopurin-9-yl)-1-hydroxyethyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

259.04703 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.05431 155.3
[M+Na]+ 282.03625 163.8
[M-H]- 258.03975 150.4
[M+NH4]+ 277.08085 167.3
[M+K]+ 298.01019 161.3
[M+H-H2O]+ 242.04429 145.6
[M+HCOO]- 304.04523 176.2
[M+CH3COO]- 318.06088 189.3
[M+Na-2H]- 280.02170 158.6
[M]+ 259.04648 155.3
[M]- 259.04758 155.3
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

patents stripe