CID 14379178

5-hydroxy-p-mentha-6,8-dien-2-one

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

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

InChI

InChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,8,10,12H,1,5H2,2-3H3

InChIKey

IQBZOAYOGMNFPL-UHFFFAOYSA-N

Compound name

4-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.09938 Da
Monoisotopic Mass: 1.3
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]+	167.106656	134.0
[M+Na]+	189.088598	141.7
[M-H]-	165.092104	136.6
[M+NH4]+	184.133203	154.5
[M+K]+	205.062538	139.5
[M+H-H2O]+	149.096640	129.5
[M+HCOO]-	211.097581	153.7
[M+CH3COO]-	225.113231	179.1
[M+Na-2H]-	187.074046	136.1
[M]+	166.09883142	131.6
[M]-	166.09992858	131.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.