CID 5270777

Chembl553798

Structural Information

Molecular Formula

C₁₀H₁₃N₅O₄

SMILES

C1=NC(=C2C(=N1)N(C=N2)CC(C(=O)OCCO)O)N

InChI

InChI=1S/C10H13N5O4/c11-8-7-9(13-4-12-8)15(5-14-7)3-6(17)10(18)19-2-1-16/h4-6,16-17H,1-3H2,(H2,11,12,13)

InChIKey

YKBRZHFOHXGQEM-UHFFFAOYSA-N

Compound name

2-hydroxyethyl 3-(6-aminopurin-9-yl)-2-hydroxypropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 267.09674 Da
Monoisotopic Mass: -1.6
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]+	268.104016	156.7
[M+Na]+	290.085958	165.3
[M-H]-	266.089464	153.9
[M+NH4]+	285.130563	168.7
[M+K]+	306.059898	162.5
[M+H-H2O]+	250.094000	148.2
[M+HCOO]-	312.094941	174.1
[M+CH3COO]-	326.110591	193.3
[M+Na-2H]-	288.071406	161.0
[M]+	267.09619142	159.0
[M]-	267.09728858	159.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.