CID 5360349

2-amino-6-chloropurine

Structural Information

Molecular Formula
C5H4ClN5
SMILES
C1=NC2=C(N1)C(=NC(=N2)N)Cl
InChI
InChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)
InChIKey
RYYIULNRIVUMTQ-UHFFFAOYSA-N
Compound name
6-chloro-7H-purin-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

46
References

11945
Patents

169.01552 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.022796 129.7
[M+Na]+ 192.004738 142.7
[M-H]- 168.008244 128.2
[M+NH4]+ 187.049343 147.7
[M+K]+ 207.978678 137.3
[M+H-H2O]+ 152.012780 122.2
[M+HCOO]- 214.013721 146.5
[M+CH3COO]- 228.029371 143.0
[M+Na-2H]- 189.990186 138.4
[M]+ 169.01497142 130.2
[M]- 169.01606858 130.2
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