CID 90346

3-pentyloxypyridine

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CCCCCOC1=CN=CC=C1

InChI

InChI=1S/C10H15NO/c1-2-3-4-8-12-10-6-5-7-11-9-10/h5-7,9H,2-4,8H2,1H3

InChIKey

GKACYEDEVWNLBG-UHFFFAOYSA-N

Compound name

3-pentoxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 165.11537 Da
Monoisotopic Mass: 2.9
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]+	166.12265	136.1
[M+Na]+	188.10459	143.1
[M-H]-	164.10809	137.9
[M+NH4]+	183.14919	155.4
[M+K]+	204.07853	141.4
[M+H-H2O]+	148.11263	129.2
[M+HCOO]-	210.11357	159.3
[M+CH3COO]-	224.12922	179.1
[M+Na-2H]-	186.09004	143.9
[M]+	165.11482	138.3
[M]-	165.11592	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe