CID 91388

25304-14-7

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

3
Annotation Hits: 2
References: 636
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]+	155.143046	134.5
[M+Na]+	177.124988	140.3
[M-H]-	153.128494	137.7
[M+NH4]+	172.169593	157.6
[M+K]+	193.098928	139.6
[M+H-H2O]+	137.133030	130.2
[M+HCOO]-	199.133971	153.8
[M+CH3COO]-	213.149621	178.2
[M+Na-2H]-	175.110436	138.5
[M]+	154.13522142	131.2
[M]-	154.13631858	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe