CID 490271

(1s)-1-[(1r,3s)-3-[(6-aminopurin-9-yl)methyl]-2,2-dimethyl-cyclobutyl]ethanol

Structural Information

Molecular Formula
C14H21N5O
SMILES
C[C@@H]([C@@H]1C[C@@H](C1(C)C)CN2C=NC3=C(N=CN=C32)N)O
InChI
InChI=1S/C14H21N5O/c1-8(20)10-4-9(14(10,2)3)5-19-7-18-11-12(15)16-6-17-13(11)19/h6-10,20H,4-5H2,1-3H3,(H2,15,16,17)/t8-,9+,10-/m0/s1
InChIKey
KEBLEDJFVXXFIA-AEJSXWLSSA-N
Compound name
(1S)-1-[(1R,3S)-3-[(6-aminopurin-9-yl)methyl]-2,2-dimethylcyclobutyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.17462 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.18190 170.7
[M+Na]+ 298.16384 179.1
[M-H]- 274.16734 172.1
[M+NH4]+ 293.20844 179.3
[M+K]+ 314.13778 177.7
[M+H-H2O]+ 258.17188 157.0
[M+HCOO]- 320.17282 186.4
[M+CH3COO]- 334.18847 204.4
[M+Na-2H]- 296.14929 172.4
[M]+ 275.17407 180.0
[M]- 275.17517 180.0
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.