CID 138322

4694-17-1

Structural Information

Molecular Formula

C₈H₁₂O

SMILES

CC1(CC=CC(=O)C1)C

InChI

InChI=1S/C8H12O/c1-8(2)5-3-4-7(9)6-8/h3-4H,5-6H2,1-2H3

InChIKey

CDDGRARTNILYAB-UHFFFAOYSA-N

Compound name

5,5-dimethylcyclohex-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 249
Patents: 124.08881 Da
Monoisotopic Mass: 1.7
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]+	125.09609	125.3
[M+Na]+	147.07803	137.9
[M+NH4]+	142.12263	136.4
[M+K]+	163.05197	129.4
[M-H]-	123.08153	127.9
[M+Na-2H]-	145.06348	133.5
[M]+	124.08826	128.0
[M]-	124.08936	128.0

Literature stripe

literature stripe

Patent stripe

patents stripe