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

4
Annotation Hits: 63
References: 702
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	133.1
[M+Na]+	173.09368	145.2
[M+NH4]+	168.13828	142.0
[M+K]+	189.06762	138.8
[M-H]-	149.09718	135.2
[M+Na-2H]-	171.07913	138.5
[M]+	150.10391	135.3
[M]-	150.10501	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe