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

3
Annotation Hits: 0
References: 2
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]+	183.174346	146.8
[M+Na]+	205.156288	152.1
[M-H]-	181.159794	146.3
[M+NH4]+	200.200893	167.0
[M+K]+	221.130228	150.1
[M+H-H2O]+	165.164330	141.7
[M+HCOO]-	227.165271	168.4
[M+CH3COO]-	241.180921	185.8
[M+Na-2H]-	203.141736	149.6
[M]+	182.16652142	149.8
[M]-	182.16761858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe