CID 93178

Cyclafuramid

Structural Information

Molecular Formula

C₁₃H₁₉NO₂

SMILES

CC1=CC(=C(O1)C)C(=O)NC2CCCCC2

InChI

InChI=1S/C13H19NO2/c1-9-8-12(10(2)16-9)13(15)14-11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,14,15)

InChIKey

OYRIKLVYHTWHCZ-UHFFFAOYSA-N

Compound name

N-cyclohexyl-2,5-dimethylfuran-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 6058
Patents: 221.14159 Da
Monoisotopic Mass: 2.9
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]+	222.148866	151.8
[M+Na]+	244.130808	156.8
[M-H]-	220.134314	158.7
[M+NH4]+	239.175413	170.3
[M+K]+	260.104748	155.7
[M+H-H2O]+	204.138850	145.4
[M+HCOO]-	266.139791	172.7
[M+CH3COO]-	280.155441	190.6
[M+Na-2H]-	242.116256	153.6
[M]+	221.14104142	149.2
[M]-	221.14213858	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe