CID 6430826

Ipsdienone

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

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

InChI

InChI=1S/C10H14O/c1-5-9(4)7-10(11)6-8(2)3/h5-6H,1,4,7H2,2-3H3

InChIKey

RPDIIOSMVGHNKJ-UHFFFAOYSA-N

Compound name

2-methyl-6-methylideneocta-2,7-dien-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 51
Patents: 150.10446 Da
Monoisotopic Mass: 3.2
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]+	151.11174	136.9
[M+Na]+	173.09368	146.4
[M+NH4]+	168.13828	143.6
[M+K]+	189.06762	141.0
[M-H]-	149.09718	135.3
[M+Na-2H]-	171.07913	139.0
[M]+	150.10391	137.4
[M]-	150.10501	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe