CID 64976

Dddapr

Structural Information

Molecular Formula

C₁₀H₁₄N₆O₂

SMILES

C1C[C@@H](O[C@@H]1CO)N2C=NC3=C(N=C(N=C32)N)N

InChI

InChI=1S/C10H14N6O2/c11-8-7-9(15-10(12)14-8)16(4-13-7)6-2-1-5(3-17)18-6/h4-6,17H,1-3H2,(H4,11,12,14,15)/t5-,6+/m0/s1

InChIKey

OABUIHOVHQHUAO-NTSWFWBYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 15
References: 317
Patents: 250.11783 Da
Monoisotopic Mass: -0.5
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]+	251.12511	153.5
[M+Na]+	273.10705	163.4
[M-H]-	249.11055	156.1
[M+NH4]+	268.15165	167.3
[M+K]+	289.08099	160.3
[M+H-H2O]+	233.11509	144.9
[M+HCOO]-	295.11603	172.7
[M+CH3COO]-	309.13168	165.0
[M+Na-2H]-	271.09250	156.4
[M]+	250.11728	152.4
[M]-	250.11838	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe