CID 11829878

{1-oxaspiro[4.5]decan-2-yl}methanol

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

C1CCC2(CC1)CCC(O2)CO

InChI

InChI=1S/C10H18O2/c11-8-9-4-7-10(12-9)5-2-1-3-6-10/h9,11H,1-8H2

InChIKey

NXROIUACPSTQQX-UHFFFAOYSA-N

Compound name

1-oxaspiro[4.5]decan-2-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.13068 Da
Monoisotopic Mass: 1.6
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	138.9
[M+Na]+	193.119898	143.2
[M-H]-	169.123404	142.8
[M+NH4]+	188.164503	161.0
[M+K]+	209.093838	142.5
[M+H-H2O]+	153.127940	134.0
[M+HCOO]-	215.128881	156.1
[M+CH3COO]-	229.144531	173.0
[M+Na-2H]-	191.105346	143.7
[M]+	170.13013142	132.8
[M]-	170.13122858	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe