CID 135435073

3-(cyclohexylmethyl)purin-6-amine

Structural Information

Molecular Formula
C12H17N5
SMILES
C1CCC(CC1)CN2C=NC(=N)C3=C2N=CN3
InChI
InChI=1S/C12H17N5/c13-11-10-12(15-7-14-10)17(8-16-11)6-9-4-2-1-3-5-9/h7-9,13H,1-6H2,(H,14,15)
InChIKey
WBMWRESAHLEECX-UHFFFAOYSA-N
Compound name
3-(cyclohexylmethyl)-7H-purin-6-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

231.14839 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15567 152.1
[M+Na]+ 254.13761 159.9
[M-H]- 230.14111 152.9
[M+NH4]+ 249.18221 166.3
[M+K]+ 270.11155 153.9
[M+H-H2O]+ 214.14565 142.2
[M+HCOO]- 276.14659 169.3
[M+CH3COO]- 290.16224 162.5
[M+Na-2H]- 252.12306 158.0
[M]+ 231.14784 146.9
[M]- 231.14894 146.9
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

No patent data available for this compound.