CID 12668519

57738-06-4

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC(=O)C1=CCCC(C1)(C)C

InChI

InChI=1S/C10H16O/c1-8(11)9-5-4-6-10(2,3)7-9/h5H,4,6-7H2,1-3H3

InChIKey

NZMDEABOJIQLEP-UHFFFAOYSA-N

Compound name

1-(5,5-dimethylcyclohexen-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 152.12012 Da
Monoisotopic Mass: 2.5
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]+	153.127396	132.4
[M+Na]+	175.109338	139.2
[M-H]-	151.112844	136.1
[M+NH4]+	170.153943	155.8
[M+K]+	191.083278	138.3
[M+H-H2O]+	135.117380	128.1
[M+HCOO]-	197.118321	153.2
[M+CH3COO]-	211.133971	177.8
[M+Na-2H]-	173.094786	137.5
[M]+	152.11957142	130.6
[M]-	152.12066858	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe