CID 139061

Bicyclo(2.2.2)octane, 1-methoxy-

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

COC12CCC(CC1)CC2

InChI

InChI=1S/C9H16O/c1-10-9-5-2-8(3-6-9)4-7-9/h8H,2-7H2,1H3

InChIKey

RIYARDQGQOVCPK-UHFFFAOYSA-N

Compound name

1-methoxybicyclo[2.2.2]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 140.12012 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]+	141.12740	131.2
[M+Na]+	163.10934	135.6
[M-H]-	139.11284	128.1
[M+NH4]+	158.15394	159.1
[M+K]+	179.08328	134.0
[M+H-H2O]+	123.11738	126.8
[M+HCOO]-	185.11832	143.6
[M+CH3COO]-	199.13397	142.7
[M+Na-2H]-	161.09479	143.8
[M]+	140.11957	131.6
[M]-	140.12067	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe