CID 12741722

5-pentylfuran-2-carbaldehyde

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CCCCCC1=CC=C(O1)C=O

InChI

InChI=1S/C10H14O2/c1-2-3-4-5-9-6-7-10(8-11)12-9/h6-8H,2-5H2,1H3

InChIKey

AQQLNCPOJXZEMK-UHFFFAOYSA-N

Compound name

5-pentylfuran-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 45
Patents: 166.09938 Da
Monoisotopic Mass: 2.5
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]+	167.10666	135.4
[M+Na]+	189.08860	143.6
[M-H]-	165.09210	139.6
[M+NH4]+	184.13320	156.8
[M+K]+	205.06254	143.0
[M+H-H2O]+	149.09664	130.3
[M+HCOO]-	211.09758	160.1
[M+CH3COO]-	225.11323	178.7
[M+Na-2H]-	187.07405	141.1
[M]+	166.09883	139.5
[M]-	166.09993	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe