CID 768638

5-diethylamino-furan-2-carbaldehyde

Structural Information

Molecular Formula

C₉H₁₃NO₂

SMILES

CCN(CC)C1=CC=C(O1)C=O

InChI

InChI=1S/C9H13NO2/c1-3-10(4-2)9-6-5-8(7-11)12-9/h5-7H,3-4H2,1-2H3

InChIKey

CSLVNCXGGVYESC-UHFFFAOYSA-N

Compound name

5-(diethylamino)furan-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 3
Patents: 167.09464 Da
Monoisotopic Mass: 2.0
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]+	168.101916	135.5
[M+Na]+	190.083858	143.3
[M-H]-	166.087364	141.4
[M+NH4]+	185.128463	157.1
[M+K]+	206.057798	144.2
[M+H-H2O]+	150.091900	129.8
[M+HCOO]-	212.092841	162.0
[M+CH3COO]-	226.108491	183.9
[M+Na-2H]-	188.069306	141.3
[M]+	167.09409142	139.7
[M]-	167.09518858	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe