CID 3086357

Dtxsid8072956

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

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

InChI

InChI=1S/C15H24O/c1-6-15(16)14(5)11-10-13(4)9-7-8-12(2)3/h8,10-11H,6-7,9H2,1-5H3

InChIKey

IOOAAQDGILGZAW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 220.18271 Da
Monoisotopic Mass: 4.7
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]+	221.189986	157.4
[M+Na]+	243.171928	161.6
[M-H]-	219.175434	156.8
[M+NH4]+	238.216533	175.9
[M+K]+	259.145868	158.9
[M+H-H2O]+	203.179970	152.3
[M+HCOO]-	265.180911	175.5
[M+CH3COO]-	279.196561	194.1
[M+Na-2H]-	241.157376	155.0
[M]+	220.18216142	158.0
[M]-	220.18325858	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe