CID 6438023

13835-41-1

Structural Information

Molecular Formula

C₁₃H₂₂O

SMILES

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

InChI

InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,10,12H,5,8-9H2,1-4H3/b10-6+

InChIKey

SLMWIBBJFMTGLJ-UXBLZVDNSA-N

Compound name

(3E)-6,10-dimethylundeca-3,9-dien-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 38
Patents: 194.16707 Da
Monoisotopic Mass: 4.0
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]+	195.174346	150.1
[M+Na]+	217.156288	154.9
[M-H]-	193.159794	149.6
[M+NH4]+	212.200893	169.7
[M+K]+	233.130228	152.9
[M+H-H2O]+	177.164330	145.1
[M+HCOO]-	239.165271	169.6
[M+CH3COO]-	253.180921	188.8
[M+Na-2H]-	215.141736	149.9
[M]+	194.16652142	151.3
[M]-	194.16761858	151.3

Literature stripe

literature stripe

Patent stripe

patents stripe