CID 181747

Deca-2,4,7-trienal

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CCC=CCC=CC=CC=O

InChI

InChI=1S/C10H14O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,6-10H,2,5H2,1H3

InChIKey

KEXCNWISTVJVBV-UHFFFAOYSA-N

Compound name

deca-2,4,7-trienal

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 11
References: 163
Patents: 150.10446 Da
Monoisotopic Mass: 2.6
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]+	151.11174	136.5
[M+Na]+	173.09368	147.1
[M+NH4]+	168.13828	143.7
[M+K]+	189.06762	139.3
[M-H]-	149.09718	135.6
[M+Na-2H]-	171.07913	139.7
[M]+	150.10391	137.4
[M]-	150.10501	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe