CID 556727

4-oxahomoadamantan-5-one

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

C1C2CC3CC1CC(C2)OC3=O

InChI

InChI=1S/C10H14O2/c11-10-8-2-6-1-7(3-8)5-9(4-6)12-10/h6-9H,1-5H2

InChIKey

ZSCDRSWJZRRPGN-UHFFFAOYSA-N

Compound name

4-oxatricyclo[4.3.1.13,8]undecan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1869
Patents: 166.09938 Da
Monoisotopic Mass: 2.0
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]+	167.10666	141.1
[M+Na]+	189.08860	148.8
[M-H]-	165.09210	143.1
[M+NH4]+	184.13320	163.0
[M+K]+	205.06254	145.3
[M+H-H2O]+	149.09664	143.5
[M+HCOO]-	211.09758	150.2
[M+CH3COO]-	225.11323	151.5
[M+Na-2H]-	187.07405	152.1
[M]+	166.09883	140.7
[M]-	166.09993	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe