CID 11550045

34665-40-2

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

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

InChI

InChI=1S/C10H18O/c1-5-8(3)7-9(4)10(11)6-2/h5,9H,6-7H2,1-4H3/b8-5+

InChIKey

BKSCONCLLLPWGA-VMPITWQZSA-N

Compound name

(E)-4,6-dimethyloct-6-en-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 154.13577 Da
Monoisotopic Mass: 2.9
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]+	155.143046	137.6
[M+Na]+	177.124988	143.3
[M-H]-	153.128494	137.6
[M+NH4]+	172.169593	158.8
[M+K]+	193.098928	142.7
[M+H-H2O]+	137.133030	133.1
[M+HCOO]-	199.133971	157.8
[M+CH3COO]-	213.149621	181.4
[M+Na-2H]-	175.110436	139.0
[M]+	154.13522142	138.5
[M]-	154.13631858	138.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.