CID 6950209

51354-80-4

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

COC(C1CCCCC1)(OC)OC

InChI

InChI=1S/C10H20O3/c1-11-10(12-2,13-3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3

InChIKey

KYIMTVQCHGXUAM-UHFFFAOYSA-N

Compound name

trimethoxymethylcyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 188.14125 Da
Monoisotopic Mass: 2.2
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]+	189.148526	143.4
[M+Na]+	211.130468	147.6
[M-H]-	187.133974	145.9
[M+NH4]+	206.175073	162.9
[M+K]+	227.104408	148.1
[M+H-H2O]+	171.138510	137.9
[M+HCOO]-	233.139451	162.4
[M+CH3COO]-	247.155101	181.9
[M+Na-2H]-	209.115916	148.9
[M]+	188.14070142	143.3
[M]-	188.14179858	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe