CID 10953450

2-furanacetaldehyde

Structural Information

Molecular Formula

C₆H₆O₂

SMILES

C1=COC(=C1)CC=O

InChI

InChI=1S/C6H6O2/c7-4-3-6-2-1-5-8-6/h1-2,4-5H,3H2

InChIKey

LNKQTTQZURKWDO-UHFFFAOYSA-N

Compound name

2-(furan-2-yl)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1479
Patents: 110.03678 Da
Monoisotopic Mass: 0.6
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]+	111.04406	116.9
[M+Na]+	133.02600	125.9
[M-H]-	109.02950	121.5
[M+NH4]+	128.07060	140.2
[M+K]+	148.99994	126.4
[M+H-H2O]+	93.034040	112.3
[M+HCOO]-	155.03498	143.0
[M+CH3COO]-	169.05063	165.4
[M+Na-2H]-	131.01145	125.6
[M]+	110.03623	119.2
[M]-	110.03733	119.2

Literature stripe

literature stripe

Patent stripe

patents stripe