CID 98754

Octyl 2-pyridyl ether

Structural Information

Molecular Formula

C₁₃H₂₁NO

SMILES

CCCCCCCCOC1=CC=CC=N1

InChI

InChI=1S/C13H21NO/c1-2-3-4-5-6-9-12-15-13-10-7-8-11-14-13/h7-8,10-11H,2-6,9,12H2,1H3

InChIKey

YRRNIRAKWMOLTK-UHFFFAOYSA-N

Compound name

2-octoxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 207.16231 Da
Monoisotopic Mass: 4.9
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]+	208.16959	149.9
[M+Na]+	230.15153	155.6
[M-H]-	206.15503	151.1
[M+NH4]+	225.19613	167.5
[M+K]+	246.12547	153.1
[M+H-H2O]+	190.15957	142.4
[M+HCOO]-	252.16051	172.1
[M+CH3COO]-	266.17616	188.1
[M+Na-2H]-	228.13698	156.1
[M]+	207.16176	153.3
[M]-	207.16286	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe