CID 22620828

Furfuryl adenine

Structural Information

Molecular Formula

C₁₀H₉N₅O

SMILES

C1=COC(=C1)CC2=NC(=C3C(=N2)N=CN3)N

InChI

InChI=1S/C10H9N5O/c11-9-8-10(13-5-12-8)15-7(14-9)4-6-2-1-3-16-6/h1-3,5H,4H2,(H3,11,12,13,14,15)

InChIKey

KBQRJRIGUDBCTM-UHFFFAOYSA-N

Compound name

2-(furan-2-ylmethyl)-7H-purin-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 267
Patents: 215.0807 Da
Monoisotopic Mass: 0.8
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]+	216.08798	143.4
[M+Na]+	238.06992	156.6
[M+NH4]+	233.11452	150.3
[M+K]+	254.04386	155.3
[M-H]-	214.07342	146.2
[M+Na-2H]-	236.05537	150.1
[M]+	215.08015	145.9
[M]-	215.08125	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe