CID 57829016

17159-84-1

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

COCC1CCC(=O)CC1

InChI

InChI=1S/C8H14O2/c1-10-6-7-2-4-8(9)5-3-7/h7H,2-6H2,1H3

InChIKey

KPQOQSYRJHFQHS-UHFFFAOYSA-N

Compound name

4-(methoxymethyl)cyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 232
Patents: 142.09938 Da
Monoisotopic Mass: 0.5
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]+	143.106656	129.3
[M+Na]+	165.088598	135.2
[M-H]-	141.092104	132.4
[M+NH4]+	160.133203	150.8
[M+K]+	181.062538	134.8
[M+H-H2O]+	125.096640	124.1
[M+HCOO]-	187.097581	150.5
[M+CH3COO]-	201.113231	173.7
[M+Na-2H]-	163.074046	134.5
[M]+	142.09883142	127.1
[M]-	142.09992858	127.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe