CID 5271256

104532-19-6

Structural Information

Molecular Formula

C₁₀H₁₁N₅O₂

SMILES

C=C(CO)OC(=C)N1C=NC2=C(N=CN=C21)N

InChI

InChI=1S/C10H11N5O2/c1-6(3-16)17-7(2)15-5-14-8-9(11)12-4-13-10(8)15/h4-5,16H,1-3H2,(H2,11,12,13)

InChIKey

NDJGPRHORXYKSW-UHFFFAOYSA-N

Compound name

2-[1-(6-aminopurin-9-yl)ethenoxy]prop-2-en-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 233.09128 Da
Monoisotopic Mass: 0.4
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]+	234.09856	151.0
[M+Na]+	256.08050	160.8
[M-H]-	232.08400	149.5
[M+NH4]+	251.12510	165.2
[M+K]+	272.05444	156.8
[M+H-H2O]+	216.08854	142.6
[M+HCOO]-	278.08948	169.7
[M+CH3COO]-	292.10513	191.0
[M+Na-2H]-	254.06595	155.5
[M]+	233.09073	151.8
[M]-	233.09183	151.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.