CID 108261

54783-36-7

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC1CCC(=C(C1=O)O)C(C)C

InChI

InChI=1S/C10H16O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6-7,12H,4-5H2,1-3H3

InChIKey

POVACFJTDXZOQT-UHFFFAOYSA-N

Compound name

2-hydroxy-6-methyl-3-propan-2-ylcyclohex-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 130
Patents: 168.11504 Da
Monoisotopic Mass: 2.0
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]+	169.12232	135.6
[M+Na]+	191.10426	143.0
[M-H]-	167.10776	138.2
[M+NH4]+	186.14886	156.2
[M+K]+	207.07820	141.4
[M+H-H2O]+	151.11230	131.0
[M+HCOO]-	213.11324	155.2
[M+CH3COO]-	227.12889	179.9
[M+Na-2H]-	189.08971	137.7
[M]+	168.11449	133.9
[M]-	168.11559	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe