CID 163934

114651-37-5

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

C=COCC1CCC(CC1)CO

InChI

InChI=1S/C10H18O2/c1-2-12-8-10-5-3-9(7-11)4-6-10/h2,9-11H,1,3-8H2

InChIKey

INRGAWUQFOBNKL-UHFFFAOYSA-N

Compound name

[4-(ethenoxymethyl)cyclohexyl]methanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3692
Patents: 170.13068 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]+	171.137956	139.4
[M+Na]+	193.119898	144.0
[M-H]-	169.123404	140.6
[M+NH4]+	188.164503	159.0
[M+K]+	209.093838	142.0
[M+H-H2O]+	153.127940	133.9
[M+HCOO]-	215.128881	158.3
[M+CH3COO]-	229.144531	177.1
[M+Na-2H]-	191.105346	142.9
[M]+	170.13013142	136.0
[M]-	170.13122858	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe