CID 88332

2,6,6-trimethyl-2-cyclohexen-1-one

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

CC1=CCCC(C1=O)(C)C

InChI

InChI=1S/C9H14O/c1-7-5-4-6-9(2,3)8(7)10/h5H,4,6H2,1-3H3

InChIKey

NAXZOZQQIIMORY-UHFFFAOYSA-N

Compound name

2,6,6-trimethylcyclohex-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 178
Patents: 138.10446 Da
Monoisotopic Mass: 2.2
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]+	139.11174	129.0
[M+Na]+	161.09368	141.7
[M+NH4]+	156.13828	139.9
[M+K]+	177.06762	133.2
[M-H]-	137.09718	131.6
[M+Na-2H]-	159.07913	136.7
[M]+	138.10391	131.7
[M]-	138.10501	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe