CID 5275338

[(1s,3r)-3-(6-aminopurin-9-yl)-2,2,3-trimethyl-cyclopentyl]methanol

Structural Information

Molecular Formula
C14H21N5O
SMILES
C[C@]1(CC[C@@H](C1(C)C)CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C14H21N5O/c1-13(2)9(6-20)4-5-14(13,3)19-8-18-10-11(15)16-7-17-12(10)19/h7-9,20H,4-6H2,1-3H3,(H2,15,16,17)/t9-,14-/m1/s1
InChIKey
DSBIWSBSZPOXKL-YMTOWFKASA-N
Compound name
[(1S,3R)-3-(6-aminopurin-9-yl)-2,2,3-trimethylcyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.17462 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.18190 161.6
[M+Na]+ 298.16384 172.9
[M-H]- 274.16734 164.1
[M+NH4]+ 293.20844 180.5
[M+K]+ 314.13778 168.2
[M+H-H2O]+ 258.17188 153.7
[M+HCOO]- 320.17282 180.1
[M+CH3COO]- 334.18847 173.3
[M+Na-2H]- 296.14929 164.9
[M]+ 275.17407 162.3
[M]- 275.17517 162.3
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.