CID 166345

72894-14-5

Structural Information

Molecular Formula

C₁₃H₂₂O

SMILES

CC=C(CCCCCCCC=C)C=O

InChI

InChI=1S/C13H22O/c1-3-5-6-7-8-9-10-11-13(4-2)12-14/h3-4,12H,1,5-11H2,2H3

InChIKey

BGAYGLVXLJBTTR-UHFFFAOYSA-N

Compound name

2-ethylideneundec-10-enal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 194.16707 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]+	195.17435	150.4
[M+Na]+	217.15629	159.9
[M+NH4]+	212.20089	157.2
[M+K]+	233.13023	152.3
[M-H]-	193.15979	149.4
[M+Na-2H]-	215.14174	152.6
[M]+	194.16652	151.2
[M]-	194.16762	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.