CID 6365785

9-hydroxyundeca-4,10-dienal

Structural Information

Molecular Formula

C₁₁H₁₈O₂

SMILES

C=CC(CCC/C=C/CCC=O)O

InChI

InChI=1S/C11H18O2/c1-2-11(13)9-7-5-3-4-6-8-10-12/h2-4,10-11,13H,1,5-9H2/b4-3+

InChIKey

XQKRBGPNSJDPRL-ONEGZZNKSA-N

Compound name

(4E)-9-hydroxyundeca-4,10-dienal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 182.13068 Da
Monoisotopic Mass: 1.6
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]+	183.137956	144.5
[M+Na]+	205.119898	150.0
[M-H]-	181.123404	142.6
[M+NH4]+	200.164503	163.8
[M+K]+	221.093838	147.1
[M+H-H2O]+	165.127940	139.5
[M+HCOO]-	227.128881	165.3
[M+CH3COO]-	241.144531	181.0
[M+Na-2H]-	203.105346	147.2
[M]+	182.13013142	145.8
[M]-	182.13122858	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe