CID 3018372

72808-15-2

Structural Information

Molecular Formula

C₁₂H₂₀O

SMILES

CC1=CCC(CC1C(=O)C)C(C)C

InChI

InChI=1S/C12H20O/c1-8(2)11-6-5-9(3)12(7-11)10(4)13/h5,8,11-12H,6-7H2,1-4H3

InChIKey

JKBPVNRFABYKGU-UHFFFAOYSA-N

Compound name

1-(2-methyl-5-propan-2-ylcyclohex-2-en-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 180.15141 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]+	181.158686	141.5
[M+Na]+	203.140628	147.3
[M-H]-	179.144134	144.8
[M+NH4]+	198.185233	161.9
[M+K]+	219.114568	146.1
[M+H-H2O]+	163.148670	136.3
[M+HCOO]-	225.149611	160.6
[M+CH3COO]-	239.165261	186.3
[M+Na-2H]-	201.126076	142.4
[M]+	180.15086142	139.9
[M]-	180.15195858	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe