CID 111013

7560-65-8

Structural Information

Molecular Formula

C₉H₁₆O₂

SMILES

COC(C1CCC=CC1)OC

InChI

InChI=1S/C9H16O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-4,8-9H,5-7H2,1-2H3

InChIKey

KVQDLLJFLVONBT-UHFFFAOYSA-N

Compound name

4-(dimethoxymethyl)cyclohexene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 156.11504 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]+	157.12232	134.4
[M+Na]+	179.10426	139.4
[M-H]-	155.10776	137.3
[M+NH4]+	174.14886	155.2
[M+K]+	195.07820	139.6
[M+H-H2O]+	139.11230	128.7
[M+HCOO]-	201.11324	155.6
[M+CH3COO]-	215.12889	177.0
[M+Na-2H]-	177.08971	139.4
[M]+	156.11449	133.7
[M]-	156.11559	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe