CID 137943344

2287322-54-5

Structural Information

Molecular Formula

C₁₀H₁₅IO

SMILES

C1C2CC3CC1CC(C2)(O3)CI

InChI

InChI=1S/C10H15IO/c11-6-10-4-7-1-8(5-10)3-9(2-7)12-10/h7-9H,1-6H2

InChIKey

DOJORYGOAIENAS-UHFFFAOYSA-N

Compound name

1-(iodomethyl)-2-oxatricyclo[3.3.1.13,7]decane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 278.01675 Da
Monoisotopic Mass: 2.9
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]+	279.02403	135.5
[M+Na]+	301.00597	138.8
[M+NH4]+	296.05057	144.8
[M+K]+	316.97991	133.4
[M-H]-	277.00947	129.9
[M+Na-2H]-	298.99142	122.8
[M]+	278.01620	133.6
[M]-	278.01730	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.