CID 95121

9-cyclohexyladenine

Structural Information

Molecular Formula
C11H15N5
SMILES
C1CCC(CC1)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H15N5/c12-10-9-11(14-6-13-10)16(7-15-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,12,13,14)
InChIKey
FRZBEYVOLNQETR-UHFFFAOYSA-N
Compound name
9-cyclohexylpurin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

28
Patents

217.13275 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.140026 148.1
[M+Na]+ 240.121968 156.5
[M-H]- 216.125474 149.9
[M+NH4]+ 235.166573 163.4
[M+K]+ 256.095908 151.9
[M+H-H2O]+ 200.130010 138.1
[M+HCOO]- 262.130951 166.3
[M+CH3COO]- 276.146601 159.3
[M+Na-2H]- 238.107416 154.0
[M]+ 217.13220142 144.2
[M]- 217.13329858 144.2
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