CID 54099340

4,7-decadienal

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CCC=CCC=CCCC=O

InChI

InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,6-7,10H,2,5,8-9H2,1H3

InChIKey

MZLGFRRNMCCNBB-UHFFFAOYSA-N

Compound name

deca-4,7-dienal

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 54
Patents: 152.12012 Da
Monoisotopic Mass: 2.4
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]+	153.127396	135.5
[M+Na]+	175.109338	142.2
[M-H]-	151.112844	135.3
[M+NH4]+	170.153943	157.0
[M+K]+	191.083278	139.7
[M+H-H2O]+	135.117380	130.8
[M+HCOO]-	197.118321	158.9
[M+CH3COO]-	211.133971	177.3
[M+Na-2H]-	173.094786	140.7
[M]+	152.11957142	137.6
[M]-	152.12066858	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe