CID 14682370

2,6-dimethyl-7-octen-3-one

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

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

InChI

InChI=1S/C10H18O/c1-5-9(4)6-7-10(11)8(2)3/h5,8-9H,1,6-7H2,2-4H3

InChIKey

YKQHXMHPGBDHLV-UHFFFAOYSA-N

Compound name

2,6-dimethyloct-7-en-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 154.13577 Da
Monoisotopic Mass: 2.7
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]+	155.14305	138.2
[M+Na]+	177.12499	147.6
[M+NH4]+	172.16959	145.5
[M+K]+	193.09893	142.5
[M-H]-	153.12849	137.1
[M+Na-2H]-	175.11044	140.5
[M]+	154.13522	139.0
[M]-	154.13632	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe