CID 481084

(1s,2r,5r)-5-(6-aminopurin-9-yl)-3-(azidomethyl)cyclopent-3-ene-1,2-diol

Structural Information

Molecular Formula
C11H12N8O2
SMILES
C1=C([C@H]([C@H]([C@@H]1N2C=NC3=C(N=CN=C32)N)O)O)CN=[N+]=[N-]
InChI
InChI=1S/C11H12N8O2/c12-10-7-11(15-3-14-10)19(4-16-7)6-1-5(2-17-18-13)8(20)9(6)21/h1,3-4,6,8-9,20-21H,2H2,(H2,12,14,15)/t6-,8-,9+/m1/s1
InChIKey
SSVWEHZAPBUMON-VDAHYXPESA-N
Compound name
(1S,2R,5R)-5-(6-aminopurin-9-yl)-3-(azidomethyl)cyclopent-3-ene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.1083 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11558 157.3
[M+Na]+ 311.09752 166.4
[M-H]- 287.10102 161.8
[M+NH4]+ 306.14212 170.7
[M+K]+ 327.07146 157.3
[M+H-H2O]+ 271.10556 152.2
[M+HCOO]- 333.10650 183.2
[M+CH3COO]- 347.12215 201.1
[M+Na-2H]- 309.08297 166.2
[M]+ 288.10775 154.8
[M]- 288.10885 154.8
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.