CID 15040384

61840-84-4

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CC1CCC(=O)C(C1)OC

InChI

InChI=1S/C8H14O2/c1-6-3-4-7(9)8(5-6)10-2/h6,8H,3-5H2,1-2H3

InChIKey

UVPDEOOEAZQBIO-UHFFFAOYSA-N

Compound name

2-methoxy-4-methylcyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 142.09938 Da
Monoisotopic Mass: 1.2
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]+	143.10666	128.4
[M+Na]+	165.08860	135.3
[M-H]-	141.09210	131.9
[M+NH4]+	160.13320	150.3
[M+K]+	181.06254	134.9
[M+H-H2O]+	125.09664	123.5
[M+HCOO]-	187.09758	149.7
[M+CH3COO]-	201.11323	174.8
[M+Na-2H]-	163.07405	133.0
[M]+	142.09883	126.7
[M]-	142.09993	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe