CID 55256

Desciclovir

Structural Information

Molecular Formula
C8H11N5O2
SMILES
C1=C2C(=NC(=N1)N)N(C=N2)COCCO
InChI
InChI=1S/C8H11N5O2/c9-8-10-3-6-7(12-8)13(4-11-6)5-15-2-1-14/h3-4,14H,1-2,5H2,(H2,9,10,12)
InChIKey
OKQHSIGMOWQUIK-UHFFFAOYSA-N
Compound name
2-[(2-aminopurin-9-yl)methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

26
References

2363
Patents

209.09128 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09856 142.6
[M+Na]+ 232.08050 153.3
[M-H]- 208.08400 141.0
[M+NH4]+ 227.12510 158.0
[M+K]+ 248.05444 149.9
[M+H-H2O]+ 192.08854 134.0
[M+HCOO]- 254.08948 163.6
[M+CH3COO]- 268.10513 184.9
[M+Na-2H]- 230.06595 150.4
[M]+ 209.09073 145.3
[M]- 209.09183 145.3
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