CID 95642

5-nonen-2-one, 6,8-dimethyl-

Structural Information

Molecular Formula

C₁₁H₂₀O

SMILES

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

InChI

InChI=1S/C11H20O/c1-9(2)8-10(3)6-5-7-11(4)12/h6,9H,5,7-8H2,1-4H3

InChIKey

ALNHSGHECMTZKH-UHFFFAOYSA-N

Compound name

6,8-dimethylnon-5-en-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 20
Patents: 168.15141 Da
Monoisotopic Mass: 3.1
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]+	169.15869	142.7
[M+Na]+	191.14063	152.0
[M+NH4]+	186.18523	149.9
[M+K]+	207.11457	146.6
[M-H]-	167.14413	141.6
[M+Na-2H]-	189.12608	144.8
[M]+	168.15086	143.5
[M]-	168.15196	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe