CID 1549521

3-(2-furyl)acrolein

Structural Information

Molecular Formula

C₇H₆O₂

SMILES

C1=COC(=C1)/C=C/C=O

InChI

InChI=1S/C7H6O2/c8-5-1-3-7-4-2-6-9-7/h1-6H/b3-1+

InChIKey

VZIRCHXYMBFNFD-HNQUOIGGSA-N

Compound name

(E)-3-(furan-2-yl)prop-2-enal

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 4
References: 2027
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]+	123.04406	122.5
[M+Na]+	145.02600	134.5
[M+NH4]+	140.07060	131.0
[M+K]+	160.99994	130.2
[M-H]-	121.02950	124.9
[M+Na-2H]-	143.01145	128.3
[M]+	122.03623	124.7
[M]-	122.03733	124.7

Literature stripe

literature stripe

Patent stripe

patents stripe