CID 381152

Piperitenone

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

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

InChI

InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6H,4-5H2,1-3H3

InChIKey

HKZQJZIFODOLFR-UHFFFAOYSA-N

Compound name

3-methyl-6-propan-2-ylidenecyclohex-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 63
References: 859
Patents: 150.10446 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]+	151.11174	130.9
[M+Na]+	173.09368	138.2
[M-H]-	149.09718	134.6
[M+NH4]+	168.13828	152.6
[M+K]+	189.06762	136.4
[M+H-H2O]+	133.10172	126.1
[M+HCOO]-	195.10266	151.9
[M+CH3COO]-	209.11831	177.8
[M+Na-2H]-	171.07913	134.2
[M]+	150.10391	128.4
[M]-	150.10501	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe