CID 6536892

817-88-9

Structural Information

Molecular Formula

C₁₁H₁₈O

SMILES

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

InChI

InChI=1S/C11H18O/c1-9(2)6-5-7-10(3)8-11(4)12/h6,8H,5,7H2,1-4H3/b10-8+

InChIKey

QAFYGHBGWCPRCI-CSKARUKUSA-N

Compound name

(3E)-4,8-dimethylnona-3,7-dien-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 215
Patents: 166.13577 Da
Monoisotopic Mass: 3.3
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]+	167.14305	142.1
[M+Na]+	189.12499	151.4
[M+NH4]+	184.16959	149.0
[M+K]+	205.09893	145.9
[M-H]-	165.12849	140.8
[M+Na-2H]-	187.11044	144.1
[M]+	166.13522	142.8
[M]-	166.13632	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe