CID 3206

9-(2-hydroxy-3-nonyl)adenine

Structural Information

Molecular Formula

C₁₄H₂₃N₅O

SMILES

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

InChI

InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)

InChIKey

IOSAAWHGJUZBOG-UHFFFAOYSA-N

Compound name

3-(6-aminopurin-9-yl)nonan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 477
References: 4040
Patents: 277.19025 Da
Monoisotopic Mass: 2.6
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]+	278.19753	166.2
[M+Na]+	300.17947	176.4
[M+NH4]+	295.22407	171.3
[M+K]+	316.15341	173.4
[M-H]-	276.18297	165.1
[M+Na-2H]-	298.16492	169.2
[M]+	277.18970	166.9
[M]-	277.19080	166.9

Literature stripe

literature stripe

Patent stripe

patents stripe