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

378
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 131.2
[M+Na]+ 235.95423 146.3
[M-H]- 211.95773 133.0
[M+NH4]+ 230.99883 150.5
[M+K]+ 251.92817 134.0
[M+H-H2O]+ 195.96227 129.9
[M+HCOO]- 257.96321 150.8
[M+CH3COO]- 271.97886 146.3
[M+Na-2H]- 233.93968 141.7
[M]+ 212.96446 148.8
[M]- 212.96556 148.8
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