CID 454776

Mpddr

Structural Information

Molecular Formula

C₁₁H₁₄N₄O₃

SMILES

COC1=NC=NC2=C1N=CN2[C@H]3CC[C@H](O3)CO

InChI

InChI=1S/C11H14N4O3/c1-17-11-9-10(12-5-13-11)15(6-14-9)8-3-2-7(4-16)18-8/h5-8,16H,2-4H2,1H3/t7-,8+/m0/s1

InChIKey

CWAPQAVHGFCWFF-JGVFFNPUSA-N

Compound name

[(2S,5R)-5-(6-methoxypurin-9-yl)oxolan-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 250.1066 Da
Monoisotopic Mass: -0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	251.11388	153.1
[M+Na]+	273.09582	163.2
[M-H]-	249.09932	155.8
[M+NH4]+	268.14042	167.6
[M+K]+	289.06976	161.3
[M+H-H2O]+	233.10386	144.6
[M+HCOO]-	295.10480	171.2
[M+CH3COO]-	309.12045	165.2
[M+Na-2H]-	271.08127	156.6
[M]+	250.10605	156.4
[M]-	250.10715	156.4

Literature stripe

literature stripe

Patent stripe

patents stripe