CID 6442990

(e)-4-oxodec-2-enal

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CCCCCCC(=O)/C=C/C=O

InChI

InChI=1S/C10H16O2/c1-2-3-4-5-7-10(12)8-6-9-11/h6,8-9H,2-5,7H2,1H3/b8-6+

InChIKey

TYFWJIXSKYGHKW-SOFGYWHQSA-N

Compound name

(E)-4-oxodec-2-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 168.11504 Da
Monoisotopic Mass: 2.1
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]+	169.12232	138.9
[M+Na]+	191.10426	145.3
[M-H]-	167.10776	138.7
[M+NH4]+	186.14886	159.6
[M+K]+	207.07820	143.6
[M+H-H2O]+	151.11230	134.0
[M+HCOO]-	213.11324	161.6
[M+CH3COO]-	227.12889	180.7
[M+Na-2H]-	189.08971	142.8
[M]+	168.11449	141.9
[M]-	168.11559	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe