CID 11073781

8-oxogeranial

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

C/C(=C\C=O)/CC/C=C(\C)/C=O

InChI

InChI=1S/C10H14O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-8H,3-4H2,1-2H3/b9-6+,10-5+

InChIKey

GRHWFPUCRVCMRY-TXFIJWAUSA-N

Compound name

(2E,6E)-2,6-dimethylocta-2,6-dienedial

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 41
Patents: 166.09938 Da
Monoisotopic Mass: 1.7
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]+	167.10666	137.5
[M+Na]+	189.08860	144.1
[M-H]-	165.09210	137.5
[M+NH4]+	184.13320	158.2
[M+K]+	205.06254	142.3
[M+H-H2O]+	149.09664	132.9
[M+HCOO]-	211.09758	159.4
[M+CH3COO]-	225.11323	179.9
[M+Na-2H]-	187.07405	140.2
[M]+	166.09883	139.1
[M]-	166.09993	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe