CID 513715

140438-63-7

Structural Information

Molecular Formula
C10H14N6O2
SMILES
C1[C@@H]([C@H](CC1N2C=NC3=C(N=C(N=C32)N)N)O)O
InChI
InChI=1S/C10H14N6O2/c11-8-7-9(15-10(12)14-8)16(3-13-7)4-1-5(17)6(18)2-4/h3-6,17-18H,1-2H2,(H4,11,12,14,15)/t5-,6-/m0/s1
InChIKey
UVPSXHQATSNKHM-WDSKDSINSA-N
Compound name
(1S,2S)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.11783 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12511 153.6
[M+Na]+ 273.10705 163.8
[M-H]- 249.11055 154.7
[M+NH4]+ 268.15165 168.3
[M+K]+ 289.08099 159.2
[M+H-H2O]+ 233.11509 145.6
[M+HCOO]- 295.11603 172.3
[M+CH3COO]- 309.13168 164.7
[M+Na-2H]- 271.09250 155.2
[M]+ 250.11728 150.6
[M]- 250.11838 150.6
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.