CID 79036

Isopiperitenone

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

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

InChI

InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9H,1,4-5H2,2-3H3

InChIKey

SEZLYIWMVRUIKT-UHFFFAOYSA-N

Compound name

3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 8
References: 665
Patents: 150.10446 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]+	151.11174	133.0
[M+Na]+	173.09368	145.0
[M+NH4]+	168.13828	141.8
[M+K]+	189.06762	138.6
[M-H]-	149.09718	135.0
[M+Na-2H]-	171.07913	138.3
[M]+	150.10391	135.2
[M]-	150.10501	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe