CID 3016433

Decanedial

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

C(CCCCC=O)CCCC=O

InChI

InChI=1S/C10H18O2/c11-9-7-5-3-1-2-4-6-8-10-12/h9-10H,1-8H2

InChIKey

ZNWNWEHQFXOPGK-UHFFFAOYSA-N

Compound name

decanedial

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 2611
Patents: 170.13068 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]+	171.137956	139.9
[M+Na]+	193.119898	146.1
[M-H]-	169.123404	139.5
[M+NH4]+	188.164503	160.5
[M+K]+	209.093838	144.6
[M+H-H2O]+	153.127940	134.8
[M+HCOO]-	215.128881	163.3
[M+CH3COO]-	229.144531	181.5
[M+Na-2H]-	191.105346	145.0
[M]+	170.13013142	144.3
[M]-	170.13122858	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe