CID 103460

2-ethylidenedecanal

Structural Information

Molecular Formula

C₁₂H₂₂O

SMILES

CCCCCCCCC(=CC)C=O

InChI

InChI=1S/C12H22O/c1-3-5-6-7-8-9-10-12(4-2)11-13/h4,11H,3,5-10H2,1-2H3

InChIKey

PGYTZFGVMAOYMQ-UHFFFAOYSA-N

Compound name

2-ethylidenedecanal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 182.16707 Da
Monoisotopic Mass: 4.6
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]+	183.17435	146.8
[M+Na]+	205.15629	152.1
[M-H]-	181.15979	146.3
[M+NH4]+	200.20089	167.0
[M+K]+	221.13023	150.1
[M+H-H2O]+	165.16433	141.7
[M+HCOO]-	227.16527	168.4
[M+CH3COO]-	241.18092	185.8
[M+Na-2H]-	203.14174	149.6
[M]+	182.16652	149.8
[M]-	182.16762	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.