CID 3013650

[(2s,4r,5s)-4-(6-aminopurin-9-yl)-5-methyl-1,3-dioxolan-2-yl]methanol

Structural Information

Molecular Formula
C10H13N5O3
SMILES
C[C@H]1[C@@H](O[C@H](O1)CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C10H13N5O3/c1-5-10(18-6(2-16)17-5)15-4-14-7-8(11)12-3-13-9(7)15/h3-6,10,16H,2H2,1H3,(H2,11,12,13)/t5-,6-,10+/m0/s1
InChIKey
UZCYQZCIYUACLB-JFWOZONXSA-N
Compound name
[(2S,4R,5S)-4-(6-aminopurin-9-yl)-5-methyl-1,3-dioxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

251.10184 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10912 154.7
[M+Na]+ 274.09106 165.5
[M-H]- 250.09456 158.1
[M+NH4]+ 269.13566 167.6
[M+K]+ 290.06500 163.9
[M+H-H2O]+ 234.09910 146.6
[M+HCOO]- 296.10004 172.5
[M+CH3COO]- 310.11569 166.7
[M+Na-2H]- 272.07651 157.9
[M]+ 251.10129 157.1
[M]- 251.10239 157.1
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.