CID 178052

Pozanicline

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

CC1=C(C=CC=N1)OC[C@@H]2CCCN2

InChI

InChI=1S/C11H16N2O/c1-9-11(5-3-6-12-9)14-8-10-4-2-7-13-10/h3,5-6,10,13H,2,4,7-8H2,1H3/t10-/m0/s1

InChIKey

YRVIKLBSVVNSHF-JTQLQIEISA-N

Compound name

2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 28
References: 1309
Patents: 192.12627 Da
Monoisotopic Mass: 1.3
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]+	193.13355	143.4
[M+Na]+	215.11549	149.6
[M-H]-	191.11899	145.5
[M+NH4]+	210.16009	161.0
[M+K]+	231.08943	146.5
[M+H-H2O]+	175.12353	135.3
[M+HCOO]-	237.12447	162.7
[M+CH3COO]-	251.14012	179.5
[M+Na-2H]-	213.10094	147.2
[M]+	192.12572	140.2
[M]-	192.12682	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe