CID 19938783

Cyclohexanemethanol, 4-(methoxymethyl)-

Structural Information

Molecular Formula

C₉H₁₈O₂

SMILES

COCC1CCC(CC1)CO

InChI

InChI=1S/C9H18O2/c1-11-7-9-4-2-8(6-10)3-5-9/h8-10H,2-7H2,1H3

InChIKey

KSIFEWSPJQDERU-UHFFFAOYSA-N

Compound name

[4-(methoxymethyl)cyclohexyl]methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 125
Patents: 158.13068 Da
Monoisotopic Mass: 1.1
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]+	159.137956	136.2
[M+Na]+	181.119898	141.0
[M-H]-	157.123404	137.6
[M+NH4]+	176.164503	156.5
[M+K]+	197.093838	139.9
[M+H-H2O]+	141.127940	130.9
[M+HCOO]-	203.128881	155.3
[M+CH3COO]-	217.144531	174.9
[M+Na-2H]-	179.105346	140.2
[M]+	158.13013142	133.2
[M]-	158.13122858	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe