CID 89264

2,5,6-trimethylcyclohex-2-en-1-one

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

CC1CC=C(C(=O)C1C)C

InChI

InChI=1S/C9H14O/c1-6-4-5-7(2)9(10)8(6)3/h5-6,8H,4H2,1-3H3

InChIKey

QAQCUBLNHBKTRM-UHFFFAOYSA-N

Compound name

2,5,6-trimethylcyclohex-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 91
Patents: 138.10446 Da
Monoisotopic Mass: 2.3
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	128.5
[M+Na]+	161.09368	141.5
[M+NH4]+	156.13828	137.9
[M+K]+	177.06762	134.8
[M-H]-	137.09718	131.1
[M+Na-2H]-	159.07913	134.4
[M]+	138.10391	131.1
[M]-	138.10501	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe