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

2
Annotation Hits: 1
References: 4614
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]+	145.158686	135.6
[M+Na]+	167.140628	141.6
[M-H]-	143.144134	135.3
[M+NH4]+	162.185233	157.4
[M+K]+	183.114568	141.2
[M+H-H2O]+	127.148670	130.7
[M+HCOO]-	189.149611	158.6
[M+CH3COO]-	203.165261	178.5
[M+Na-2H]-	165.126076	141.1
[M]+	144.15086142	139.5
[M]-	144.15195858	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe