CID 13205488

23074-13-7

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

CCCCC1=CC=C(O1)C=O

InChI

InChI=1S/C9H12O2/c1-2-3-4-8-5-6-9(7-10)11-8/h5-7H,2-4H2,1H3

InChIKey

VONUIGQUEZWAQQ-UHFFFAOYSA-N

Compound name

5-butylfuran-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 152.08372 Da
Monoisotopic Mass: 2.0
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]+	153.09100	130.6
[M+Na]+	175.07294	139.2
[M-H]-	151.07644	135.0
[M+NH4]+	170.11754	152.6
[M+K]+	191.04688	138.9
[M+H-H2O]+	135.08098	125.7
[M+HCOO]-	197.08192	155.6
[M+CH3COO]-	211.09757	175.6
[M+Na-2H]-	173.05839	136.9
[M]+	152.08317	134.4
[M]-	152.08427	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe