CID 96440

2-(dodecyloxy)pyridine

Structural Information

Molecular Formula

C₁₇H₂₉NO

SMILES

CCCCCCCCCCCCOC1=CC=CC=N1

InChI

InChI=1S/C17H29NO/c1-2-3-4-5-6-7-8-9-10-13-16-19-17-14-11-12-15-18-17/h11-12,14-15H,2-10,13,16H2,1H3

InChIKey

PQKOSPVOQVXHCT-UHFFFAOYSA-N

Compound name

2-dodecoxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 263.2249 Da
Monoisotopic Mass: 7.1
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]+	264.23218	168.2
[M+Na]+	286.21412	172.1
[M-H]-	262.21762	168.6
[M+NH4]+	281.25872	183.5
[M+K]+	302.18806	168.6
[M+H-H2O]+	246.22216	159.7
[M+HCOO]-	308.22310	189.0
[M+CH3COO]-	322.23875	200.1
[M+Na-2H]-	284.19957	172.1
[M]+	263.22435	172.9
[M]-	263.22545	172.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe