CID 70247

1-methoxyoctane

Structural Information

Molecular Formula

C₉H₂₀O

SMILES

CCCCCCCCOC

InChI

InChI=1S/C9H20O/c1-3-4-5-6-7-8-9-10-2/h3-9H2,1-2H3

InChIKey

RIAWWRJHTAZJSU-UHFFFAOYSA-N

Compound name

1-methoxyoctane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2756
Patents: 144.15141 Da
Monoisotopic Mass: 4.0
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]+	145.15869	134.1
[M+Na]+	167.14063	144.7
[M+NH4]+	162.18523	142.5
[M+K]+	183.11457	137.5
[M-H]-	143.14413	134.3
[M+Na-2H]-	165.12608	138.2
[M]+	144.15086	135.6
[M]-	144.15196	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe