CID 94014

8-undecenal

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

CCC=CCCCCCCC=O

InChI

InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h3-4,11H,2,5-10H2,1H3

InChIKey

DWQXOILNGUCNSH-UHFFFAOYSA-N

Compound name

undec-8-enal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 666
Patents: 168.15141 Da
Monoisotopic Mass: 3.4
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]+	169.15869	141.9
[M+Na]+	191.14063	152.2
[M+NH4]+	186.18523	149.4
[M+K]+	207.11457	144.3
[M-H]-	167.14413	141.5
[M+Na-2H]-	189.12608	145.2
[M]+	168.15086	143.0
[M]-	168.15196	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe