CID 135431972

8-iodo-guanine

Structural Information

Molecular Formula
C5H4IN5O
SMILES
C12=C(N=C(NC1=O)N)N=C(N2)I
InChI
InChI=1S/C5H4IN5O/c6-4-8-1-2(9-4)10-5(7)11-3(1)12/h(H4,7,8,9,10,11,12)
InChIKey
SXGFECRAKVVEJT-UHFFFAOYSA-N
Compound name
2-amino-8-iodo-1,7-dihydropurin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

416
Patents

276.94604 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.95332 135.7
[M+Na]+ 299.93526 141.3
[M-H]- 275.93876 127.1
[M+NH4]+ 294.97986 147.7
[M+K]+ 315.90920 142.2
[M+H-H2O]+ 259.94330 125.1
[M+HCOO]- 321.94424 151.2
[M+CH3COO]- 335.95989 144.5
[M+Na-2H]- 297.92071 131.9
[M]+ 276.94549 131.6
[M]- 276.94659 131.6
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