CID 194461

N-furfurylformamide

Structural Information

Molecular Formula

SMILES

C1=COC(=C1)CNC=O

InChI

InChI=1S/C6H7NO2/c8-5-7-4-6-2-1-3-9-6/h1-3,5H,4H2,(H,7,8)

InChIKey

RAZUCHVCRRKTKX-UHFFFAOYSA-N

Compound name

N-(furan-2-ylmethyl)formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 217
Patents: 125.047676 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]+	126.054952	121.4
[M+Na]+	148.036894	129.3
[M-H]-	124.040400	125.8
[M+NH4]+	143.081499	143.6
[M+K]+	164.010834	129.6
[M+H-H2O]+	108.044936	116.0
[M+HCOO]-	170.045877	148.3
[M+CH3COO]-	184.061527	170.2
[M+Na-2H]-	146.022342	130.2
[M]+	125.04712742	122.8
[M]-	125.04822458	122.8

Literature stripe

literature stripe

Patent stripe

patents stripe