CID 111234

Undecanal, 2-ethylidene-

Structural Information

Molecular Formula

C₁₃H₂₄O

SMILES

CCCCCCCCCC(=CC)C=O

InChI

InChI=1S/C13H24O/c1-3-5-6-7-8-9-10-11-13(4-2)12-14/h4,12H,3,5-11H2,1-2H3

InChIKey

UDHFJAGCBKZYMB-UHFFFAOYSA-N

Compound name

2-ethylideneundecanal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9
Patents: 196.18271 Da
Monoisotopic Mass: 5.1
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]+	197.18999	151.1
[M+Na]+	219.17193	160.6
[M+NH4]+	214.21653	158.2
[M+K]+	235.14587	153.1
[M-H]-	195.17543	150.3
[M+Na-2H]-	217.15738	153.4
[M]+	196.18216	152.0
[M]-	196.18326	152.0

Literature stripe

literature stripe

Patent stripe

patents stripe