CID 10438

2,6-dimethyl-2,5-heptadien-4-one

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

CC(=CC(=O)C=C(C)C)C

InChI

InChI=1S/C9H14O/c1-7(2)5-9(10)6-8(3)4/h5-6H,1-4H3

InChIKey

MTZWHHIREPJPTG-UHFFFAOYSA-N

Compound name

2,6-dimethylhepta-2,5-dien-4-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 136
References: 9061
Patents: 138.10446 Da
Monoisotopic Mass: 2.8
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]+	139.11174	133.4
[M+Na]+	161.09368	143.1
[M+NH4]+	156.13828	140.6
[M+K]+	177.06762	138.1
[M-H]-	137.09718	132.1
[M+Na-2H]-	159.07913	135.9
[M]+	138.10391	134.1
[M]-	138.10501	134.1

Literature stripe

literature stripe

Patent stripe

patents stripe