CID 116853

2-(2-isopropoxyethyl)pyridine

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CC(C)OCCC1=CC=CC=N1

InChI

InChI=1S/C10H15NO/c1-9(2)12-8-6-10-5-3-4-7-11-10/h3-5,7,9H,6,8H2,1-2H3

InChIKey

PFQFWWAQORECNJ-UHFFFAOYSA-N

Compound name

2-(2-propan-2-yloxyethyl)pyridine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 52
Patents: 165.11537 Da
Monoisotopic Mass: 1.5
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	136.5
[M+Na]+	188.10459	143.2
[M-H]-	164.10809	138.4
[M+NH4]+	183.14919	155.8
[M+K]+	204.07853	142.0
[M+H-H2O]+	148.11263	129.7
[M+HCOO]-	210.11357	158.7
[M+CH3COO]-	224.12922	179.9
[M+Na-2H]-	186.09004	143.1
[M]+	165.11482	138.1
[M]-	165.11592	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe