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

2
Annotation Hits: 0
References: 4067
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]+	171.13796	139.4
[M+Na]+	193.11990	144.0
[M-H]-	169.12340	140.6
[M+NH4]+	188.16450	159.0
[M+K]+	209.09384	142.0
[M+H-H2O]+	153.12794	133.9
[M+HCOO]-	215.12888	158.3
[M+CH3COO]-	229.14453	177.1
[M+Na-2H]-	191.10535	142.9
[M]+	170.13013	136.0
[M]-	170.13123	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe