CID 481080

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

Structural Information

Molecular Formula
C11H14N6O2
SMILES
C1=C([C@@H]([C@H]([C@@H]1N2C=NC3=C(N=CN=C32)N)O)O)CN
InChI
InChI=1S/C11H14N6O2/c12-2-5-1-6(9(19)8(5)18)17-4-16-7-10(13)14-3-15-11(7)17/h1,3-4,6,8-9,18-19H,2,12H2,(H2,13,14,15)/t6-,8+,9+/m1/s1
InChIKey
ISXCEYKFPJCFBU-YEPSODPASA-N
Compound name
(1S,2S,5R)-3-(aminomethyl)-5-(6-aminopurin-9-yl)cyclopent-3-ene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.11783 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12511 156.5
[M+Na]+ 285.10705 167.2
[M-H]- 261.11055 157.9
[M+NH4]+ 280.15165 170.8
[M+K]+ 301.08099 162.2
[M+H-H2O]+ 245.11509 148.4
[M+HCOO]- 307.11603 176.3
[M+CH3COO]- 321.13168 167.7
[M+Na-2H]- 283.09250 158.6
[M]+ 262.11728 155.3
[M]- 262.11838 155.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.