CID 12648080

1917-65-3

Structural Information

Molecular Formula

C₈H₁₀O₃

SMILES

CCOCC1=CC=C(O1)C=O

InChI

InChI=1S/C8H10O3/c1-2-10-6-8-4-3-7(5-9)11-8/h3-5H,2,6H2,1H3

InChIKey

CCDRPZFMDMKZSZ-UHFFFAOYSA-N

Compound name

5-(ethoxymethyl)furan-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 798
Patents: 154.06299 Da
Monoisotopic Mass: 0.3
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]+	155.070266	128.8
[M+Na]+	177.052208	137.7
[M-H]-	153.055714	133.4
[M+NH4]+	172.096813	150.6
[M+K]+	193.026148	138.1
[M+H-H2O]+	137.060250	123.9
[M+HCOO]-	199.061191	154.4
[M+CH3COO]-	213.076841	174.6
[M+Na-2H]-	175.037656	135.7
[M]+	154.06244142	133.7
[M]-	154.06353858	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe