CID 5283345

(2e)-decenal

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CCCCCCC/C=C/C=O

InChI

InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3/b9-8+

InChIKey

MMFCJPPRCYDLLZ-CMDGGOBGSA-N

Compound name

(E)-dec-2-enal

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 83
References: 4081
Patents: 154.13577 Da
Monoisotopic Mass: 3.7
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]+	155.143046	137.0
[M+Na]+	177.124988	143.3
[M-H]-	153.128494	136.7
[M+NH4]+	172.169593	158.4
[M+K]+	193.098928	141.4
[M+H-H2O]+	137.133030	132.2
[M+HCOO]-	199.133971	160.2
[M+CH3COO]-	213.149621	178.9
[M+Na-2H]-	175.110436	142.2
[M]+	154.13522142	139.9
[M]-	154.13631858	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe