CID 666825

4-n-furfurylcytosine

Structural Information

Molecular Formula

C₉H₉N₃O₂

SMILES

C1=COC(=C1)CNC2=CC=NC(=O)N2

InChI

InChI=1S/C9H9N3O2/c13-9-10-4-3-8(12-9)11-6-7-2-1-5-14-7/h1-5H,6H2,(H2,10,11,12,13)

InChIKey

PPZNKEWLJJEHRV-UHFFFAOYSA-N

Compound name

6-(furan-2-ylmethylamino)-1H-pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 12
Patents: 191.06947 Da
Monoisotopic Mass: 0.1
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]+	192.07675	138.7
[M+Na]+	214.05869	151.2
[M+NH4]+	209.10329	145.8
[M+K]+	230.03263	147.7
[M-H]-	190.06219	142.1
[M+Na-2H]-	212.04414	146.2
[M]+	191.06892	141.2
[M]-	191.07002	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe