CID 845080

117534-38-0

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

CC1=C(C=CO1)C(=O)NCC2=CC=CO2

InChI

InChI=1S/C11H11NO3/c1-8-10(4-6-14-8)11(13)12-7-9-3-2-5-15-9/h2-6H,7H2,1H3,(H,12,13)

InChIKey

ZSEHNDARAQYZIE-UHFFFAOYSA-N

Compound name

N-(furan-2-ylmethyl)-2-methylfuran-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 205.0739 Da
Monoisotopic Mass: 1.3
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]+	206.081176	142.9
[M+Na]+	228.063118	151.7
[M-H]-	204.066624	151.9
[M+NH4]+	223.107723	162.5
[M+K]+	244.037058	152.0
[M+H-H2O]+	188.071160	137.5
[M+HCOO]-	250.072101	170.2
[M+CH3COO]-	264.087751	184.6
[M+Na-2H]-	226.048566	148.8
[M]+	205.07335142	147.7
[M]-	205.07444858	147.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.