CID 13617743

1303974-14-2

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

C1C2CC3CC1CC(C2)(O3)CO

InChI

InChI=1S/C10H16O2/c11-6-10-4-7-1-8(5-10)3-9(2-7)12-10/h7-9,11H,1-6H2

InChIKey

CXQHXBRNBRPJRY-UHFFFAOYSA-N

Compound name

2-oxatricyclo[3.3.1.13,7]decan-1-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 168.11504 Da
Monoisotopic Mass: 1.2
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]+	169.12232	136.6
[M+Na]+	191.10426	146.4
[M+NH4]+	186.14886	149.8
[M+K]+	207.07820	137.7
[M-H]-	167.10776	135.9
[M+Na-2H]-	189.08971	133.9
[M]+	168.11449	137.9
[M]-	168.11559	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe