CID 5273959

[3-[(6-amino-9h-purin-8-yl)methyl]-1,2,2-trimethyl-cyclopentyl]methanol

Structural Information

Molecular Formula
C15H23N5O
SMILES
CC1(C(CCC1(C)CO)CC2=NC3=NC=NC(=C3N2)N)C
InChI
InChI=1S/C15H23N5O/c1-14(2)9(4-5-15(14,3)7-21)6-10-19-11-12(16)17-8-18-13(11)20-10/h8-9,21H,4-7H2,1-3H3,(H3,16,17,18,19,20)
InChIKey
XCCPXASICJTBCP-UHFFFAOYSA-N
Compound name
[3-[(6-amino-7H-purin-8-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.19025 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.19753 166.5
[M+Na]+ 312.17947 176.9
[M-H]- 288.18297 167.5
[M+NH4]+ 307.22407 184.2
[M+K]+ 328.15341 171.2
[M+H-H2O]+ 272.18751 158.8
[M+HCOO]- 334.18845 183.2
[M+CH3COO]- 348.20410 177.1
[M+Na-2H]- 310.16492 168.9
[M]+ 289.18970 165.8
[M]- 289.19080 165.8
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.