CID 152318

9-hoae

Structural Information

Molecular Formula

C₁₃H₂₁N₅O

SMILES

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

InChI

InChI=1S/C13H21N5O/c1-2-3-4-5-6-10(7-19)18-9-17-11-12(14)15-8-16-13(11)18/h8-10,19H,2-7H2,1H3,(H2,14,15,16)

InChIKey

YXBJLOKJVFLXCO-UHFFFAOYSA-N

Compound name

2-(6-aminopurin-9-yl)octan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 263.17462 Da
Monoisotopic Mass: 2.1
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]+	264.18190	163.1
[M+Na]+	286.16384	171.4
[M-H]-	262.16734	160.8
[M+NH4]+	281.20844	176.3
[M+K]+	302.13778	166.8
[M+H-H2O]+	246.17188	153.8
[M+HCOO]-	308.17282	181.2
[M+CH3COO]-	322.18847	198.4
[M+Na-2H]-	284.14929	167.1
[M]+	263.17407	165.4
[M]-	263.17517	165.4

Literature stripe

literature stripe

Patent stripe

patents stripe