CID 6101139

2-amino-6-bromopurine

Structural Information

Molecular Formula
C5H4BrN5
SMILES
C1=NC2=C(N1)C(=NC(=N2)N)Br
InChI
InChI=1S/C5H4BrN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)
InChIKey
HPGBGNVPUMCKPM-UHFFFAOYSA-N
Compound name
6-bromo-7H-purin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

247
Patents

212.96501 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.97229 139.8
[M+Na]+ 235.95423 143.4
[M+NH4]+ 230.99883 143.5
[M+K]+ 251.92817 145.6
[M-H]- 211.95773 138.5
[M+Na-2H]- 233.93968 142.6
[M]+ 212.96446 138.6
[M]- 212.96556 138.6
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