CID 13527704

1,3-dimethyl-2-(2-furyl)imidazolidine

Structural Information

Molecular Formula

C₉H₁₄N₂O

SMILES

CN1CCN(C1C2=CC=CO2)C

InChI

InChI=1S/C9H14N2O/c1-10-5-6-11(2)9(10)8-4-3-7-12-8/h3-4,7,9H,5-6H2,1-2H3

InChIKey

WSKUHUXAHKFSKY-UHFFFAOYSA-N

Compound name

2-(furan-2-yl)-1,3-dimethylimidazolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 166.11061 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]+	167.117886	135.1
[M+Na]+	189.099828	143.6
[M-H]-	165.103334	140.1
[M+NH4]+	184.144433	155.5
[M+K]+	205.073768	143.3
[M+H-H2O]+	149.107870	128.3
[M+HCOO]-	211.108811	156.5
[M+CH3COO]-	225.124461	177.6
[M+Na-2H]-	187.085276	137.9
[M]+	166.11006142	135.0
[M]-	166.11115858	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe