CID 17756553

3-methoxyfuran-2-carbaldehyde

Structural Information

Molecular Formula

C₆H₆O₃

SMILES

COC1=C(OC=C1)C=O

InChI

InChI=1S/C6H6O3/c1-8-5-2-3-9-6(5)4-7/h2-4H,1H3

InChIKey

NEFRUHCNVKRDIP-UHFFFAOYSA-N

Compound name

3-methoxyfuran-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 126.03169 Da
Monoisotopic Mass: 0.8
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]+	127.038966	119.1
[M+Na]+	149.020908	129.0
[M-H]-	125.024414	124.1
[M+NH4]+	144.065513	142.1
[M+K]+	164.994848	129.9
[M+H-H2O]+	109.028950	114.6
[M+HCOO]-	171.029891	145.4
[M+CH3COO]-	185.045541	168.6
[M+Na-2H]-	147.006356	127.2
[M]+	126.03114142	123.3
[M]-	126.03223858	123.3

Literature stripe

literature stripe

Patent stripe

patents stripe