CID 136330

Eucarvone

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

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

InChI

InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)7-9(8)11/h4-6H,7H2,1-3H3

InChIKey

QNGQIURXCUHNAT-UHFFFAOYSA-N

Compound name

2,6,6-trimethylcyclohepta-2,4-dien-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 253
Patents: 150.10446 Da
Monoisotopic Mass: 2.6
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	126.4
[M+Na]+	173.09368	137.6
[M+NH4]+	168.13828	136.1
[M+K]+	189.06762	131.3
[M-H]-	149.09718	128.7
[M+Na-2H]-	171.07913	134.7
[M]+	150.10391	128.9
[M]-	150.10501	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe