CID 23049

6555-95-9

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC12CCC(CC1)(CC2)OC

InChI

InChI=1S/C10H18O/c1-9-3-6-10(11-2,7-4-9)8-5-9/h3-8H2,1-2H3

InChIKey

NXGYBOISDZEYCB-UHFFFAOYSA-N

Compound name

1-methoxy-4-methylbicyclo[2.2.2]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 154.13577 Da
Monoisotopic Mass: 2.3
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]+	155.143046	137.5
[M+Na]+	177.124988	142.6
[M-H]-	153.128494	134.5
[M+NH4]+	172.169593	166.7
[M+K]+	193.098928	140.5
[M+H-H2O]+	137.133030	132.8
[M+HCOO]-	199.133971	149.3
[M+CH3COO]-	213.149621	148.8
[M+Na-2H]-	175.110436	150.2
[M]+	154.13522142	138.5
[M]-	154.13631858	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe