CID 5283346

3-decenal

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CCCCCC/C=C/CC=O

InChI

InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h7-8,10H,2-6,9H2,1H3/b8-7+

InChIKey

NRXZYQITMVTQIB-BQYQJAHWSA-N

Compound name

(E)-dec-3-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 107
Patents: 154.13577 Da
Monoisotopic Mass: 3.3
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]+	155.14305	137.0
[M+Na]+	177.12499	143.3
[M-H]-	153.12849	136.7
[M+NH4]+	172.16959	158.4
[M+K]+	193.09893	141.4
[M+H-H2O]+	137.13303	132.2
[M+HCOO]-	199.13397	160.2
[M+CH3COO]-	213.14962	178.9
[M+Na-2H]-	175.11044	142.2
[M]+	154.13522	139.9
[M]-	154.13632	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.