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: 4655
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	135.6
[M+Na]+	167.14063	141.6
[M-H]-	143.14413	135.3
[M+NH4]+	162.18523	157.4
[M+K]+	183.11457	141.2
[M+H-H2O]+	127.14867	130.7
[M+HCOO]-	189.14961	158.6
[M+CH3COO]-	203.16526	178.5
[M+Na-2H]-	165.12608	141.1
[M]+	144.15086	139.5
[M]-	144.15196	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe