CID 198122

32630-50-5

Structural Information

Molecular Formula

C₇H₆O₂

SMILES

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

InChI

InChI=1S/C7H6O2/c1-2-6-3-4-7(5-8)9-6/h2-5H,1H2

InChIKey

YOYFXGKQGYRVDG-UHFFFAOYSA-N

Compound name

5-ethenylfuran-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 18
Patents: 122.03678 Da
Monoisotopic Mass: 1.1
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]+	123.044056	119.6
[M+Na]+	145.025998	129.4
[M-H]-	121.029504	124.5
[M+NH4]+	140.070603	142.7
[M+K]+	160.999938	129.0
[M+H-H2O]+	105.034040	115.2
[M+HCOO]-	167.034981	145.5
[M+CH3COO]-	181.050631	168.7
[M+Na-2H]-	143.011446	127.1
[M]+	122.03623142	122.0
[M]-	122.03732858	122.0

Literature stripe

literature stripe

Patent stripe

patents stripe