CID 91388

Herbac

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC(=O)C1CCCC(C1)(C)C

InChI

InChI=1S/C10H18O/c1-8(11)9-5-4-6-10(2,3)7-9/h9H,4-7H2,1-3H3

InChIKey

DXIWBWIDAYBUDF-UHFFFAOYSA-N

Compound name

1-(3,3-dimethylcyclohexyl)ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 691
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	136.3
[M+Na]+	177.12499	147.2
[M+NH4]+	172.16959	146.8
[M+K]+	193.09893	139.2
[M-H]-	153.12849	138.4
[M+Na-2H]-	175.11044	142.6
[M]+	154.13522	138.5
[M]-	154.13632	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe