CID 500132

Nsc653491

Structural Information

Molecular Formula
C10H13N5O3
SMILES
C1[C@H](O[C@H](O1)CN2C=NC3=C(N=CN=C32)N)CO
InChI
InChI=1S/C10H13N5O3/c11-9-8-10(13-4-12-9)15(5-14-8)1-7-17-3-6(2-16)18-7/h4-7,16H,1-3H2,(H2,11,12,13)/t6-,7+/m1/s1
InChIKey
XZOKBTWMQWESAH-RQJHMYQMSA-N
Compound name
[(2S,4R)-2-[(6-aminopurin-9-yl)methyl]-1,3-dioxolan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.10184 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10912 153.1
[M+Na]+ 274.09106 163.0
[M-H]- 250.09456 156.1
[M+NH4]+ 269.13566 165.7
[M+K]+ 290.06500 161.5
[M+H-H2O]+ 234.09910 144.7
[M+HCOO]- 296.10004 171.0
[M+CH3COO]- 310.11569 164.9
[M+Na-2H]- 272.07651 157.1
[M]+ 251.10129 155.1
[M]- 251.10239 155.1
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.