CID 96480

2168-16-3

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

C1CCN(CC1)CC2=C(C=CC=N2)O

InChI

InChI=1S/C11H16N2O/c14-11-5-4-6-12-10(11)9-13-7-2-1-3-8-13/h4-6,14H,1-3,7-9H2

InChIKey

BMRGAJCUJCTATP-UHFFFAOYSA-N

Compound name

2-(piperidin-1-ylmethyl)pyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 6
Patents: 192.12627 Da
Monoisotopic Mass: 1.2
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]+	193.133546	143.9
[M+Na]+	215.115488	149.1
[M-H]-	191.118994	145.5
[M+NH4]+	210.160093	159.5
[M+K]+	231.089428	145.9
[M+H-H2O]+	175.123530	135.4
[M+HCOO]-	237.124471	161.0
[M+CH3COO]-	251.140121	179.9
[M+Na-2H]-	213.100936	149.3
[M]+	192.12572142	138.5
[M]-	192.12681858	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe