CID 66963260

Schembl1244477

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC1=CCC(C(C1=O)O)C(=C)C

InChI

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

InChIKey

YNTOEUGPNLOIEP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 19
Patents: 166.09938 Da
Monoisotopic Mass: 1.9
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]+	167.10666	136.1
[M+Na]+	189.08860	147.5
[M+NH4]+	184.13320	143.9
[M+K]+	205.06254	142.1
[M-H]-	165.09210	137.1
[M+Na-2H]-	187.07405	140.1
[M]+	166.09883	137.8
[M]-	166.09993	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe