CID 6101575

2-amino-6-iodopurine

Structural Information

Molecular Formula
C5H4IN5
SMILES
C1=NC2=C(N1)C(=NC(=N2)N)I
InChI
InChI=1S/C5H4IN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)
InChIKey
CQYPNVKLVHHOSJ-UHFFFAOYSA-N
Compound name
6-iodo-7H-purin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

358
Patents

260.95114 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.958416 130.7
[M+Na]+ 283.940358 135.7
[M-H]- 259.943864 122.9
[M+NH4]+ 278.984963 143.8
[M+K]+ 299.914298 137.5
[M+H-H2O]+ 243.948400 119.7
[M+HCOO]- 305.949341 147.4
[M+CH3COO]- 319.964991 140.0
[M+Na-2H]- 281.925806 128.3
[M]+ 260.95059142 127.4
[M]- 260.95168858 127.4
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