CID 8187

10-undecenal

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

C=CCCCCCCCCC=O

InChI

InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h2,11H,1,3-10H2

InChIKey

OFHHDSQXFXLTKC-UHFFFAOYSA-N

Compound name

undec-10-enal

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 6
References: 11059
Patents: 168.15141 Da
Monoisotopic Mass: 3.8
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]+	169.158686	141.4
[M+Na]+	191.140628	147.2
[M-H]-	167.144134	140.9
[M+NH4]+	186.185233	162.1
[M+K]+	207.114568	145.0
[M+H-H2O]+	151.148670	136.3
[M+HCOO]-	213.149611	164.3
[M+CH3COO]-	227.165261	182.7
[M+Na-2H]-	189.126076	146.0
[M]+	168.15086142	144.7
[M]-	168.15195858	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe