CID 5248753

8-bromo-9-ethyladenine

Structural Information

Molecular Formula
C7H8BrN5
SMILES
CCN1C2=NC=NC(=C2N=C1Br)N
InChI
InChI=1S/C7H8BrN5/c1-2-13-6-4(12-7(13)8)5(9)10-3-11-6/h3H,2H2,1H3,(H2,9,10,11)
InChIKey
GACDSQLJMZANKT-UHFFFAOYSA-N
Compound name
8-bromo-9-ethylpurin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

7
Patents

240.9963 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.00358 140.1
[M+Na]+ 263.98552 155.6
[M-H]- 239.98902 143.2
[M+NH4]+ 259.03012 159.3
[M+K]+ 279.95946 143.7
[M+H-H2O]+ 223.99356 138.4
[M+HCOO]- 285.99450 160.4
[M+CH3COO]- 300.01015 155.3
[M+Na-2H]- 261.97097 149.2
[M]+ 240.99575 160.4
[M]- 240.99685 160.4
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