CID 196788

Drf-adenine

Structural Information

Molecular Formula
C11H11N5O3
SMILES
C#C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C11H11N5O3/c1-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h1,3-5,7-8,11,17-18H,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
InChIKey
TUULTITVEOMAQD-IOSLPCCCSA-N
Compound name
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-ethynyloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.08618 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.09346 154.4
[M+Na]+ 284.07540 166.2
[M-H]- 260.07890 152.6
[M+NH4]+ 279.12000 165.1
[M+K]+ 300.04934 161.1
[M+H-H2O]+ 244.08344 139.3
[M+HCOO]- 306.08438 165.4
[M+CH3COO]- 320.10003 163.4
[M+Na-2H]- 282.06085 154.5
[M]+ 261.08563 148.3
[M]- 261.08673 148.3
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.