CID 94373

Pseudomethylionone

Structural Information

Molecular Formula

C₁₄H₂₂O

SMILES

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

InChI

InChI=1S/C14H22O/c1-5-14(15)11-7-10-13(4)9-6-8-12(2)3/h7-8,10-11H,5-6,9H2,1-4H3

InChIKey

SPHLZZZXIWUZNM-UHFFFAOYSA-N

Compound name

7,11-dimethyldodeca-4,6,10-trien-3-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 128
Patents: 206.16707 Da
Monoisotopic Mass: 4.4
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]+	207.17435	154.6
[M+Na]+	229.15629	163.4
[M+NH4]+	224.20089	160.7
[M+K]+	245.13023	157.1
[M-H]-	205.15979	152.9
[M+Na-2H]-	227.14174	155.7
[M]+	206.16652	155.0
[M]-	206.16762	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe