CID 78484

1-methoxyhexane

Structural Information

Molecular Formula

C₇H₁₆O

SMILES

CCCCCCOC

InChI

InChI=1S/C7H16O/c1-3-4-5-6-7-8-2/h3-7H2,1-2H3

InChIKey

ICBJCVRQDSQPGI-UHFFFAOYSA-N

Compound name

1-methoxyhexane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 8197
Patents: 116.12012 Da
Monoisotopic Mass: 2.4
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]+	117.12740	125.2
[M+Na]+	139.10934	136.2
[M+NH4]+	134.15394	133.9
[M+K]+	155.08328	129.5
[M-H]-	115.11284	125.4
[M+Na-2H]-	137.09479	129.8
[M]+	116.11957	126.7
[M]-	116.12067	126.7

Literature stripe

literature stripe

Patent stripe

patents stripe