CID 135480707

Carbocyclic-ndg

Structural Information

Molecular Formula
C10H13N5O3
SMILES
C1[C@@H]([C@H](CC1N2C=NC3=C2N=C(NC3=O)N)O)O
InChI
InChI=1S/C10H13N5O3/c11-10-13-8-7(9(18)14-10)12-3-15(8)4-1-5(16)6(17)2-4/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t5-,6-/m0/s1
InChIKey
LDYHQWURHCKRLK-WDSKDSINSA-N
Compound name
2-amino-9-[(3S,4S)-3,4-dihydroxycyclopentyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

251.10184 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10912 153.9
[M+Na]+ 274.09106 164.5
[M-H]- 250.09456 154.1
[M+NH4]+ 269.13566 168.2
[M+K]+ 290.06500 159.4
[M+H-H2O]+ 234.09910 146.3
[M+HCOO]- 296.10004 170.9
[M+CH3COO]- 310.11569 164.9
[M+Na-2H]- 272.07651 155.2
[M]+ 251.10129 151.3
[M]- 251.10239 151.3
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.