CID 445211

14047-28-0

Structural Information

Molecular Formula

C₈H₁₁N₅O

SMILES

C[C@H](CN1C=NC2=C(N=CN=C21)N)O

InChI

InChI=1S/C8H11N5O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3,(H2,9,10,11)/t5-/m1/s1

InChIKey

MJZYTEBKXLVLMY-RXMQYKEDSA-N

Compound name

(2R)-1-(6-aminopurin-9-yl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 354
Patents: 193.09636 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]+	194.10364	139.6
[M+Na]+	216.08558	151.4
[M+NH4]+	211.13018	145.9
[M+K]+	232.05952	149.0
[M-H]-	192.08908	138.9
[M+Na-2H]-	214.07103	144.6
[M]+	193.09581	140.7
[M]-	193.09691	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe