CID 43499555

797026-88-1

Structural Information

Molecular Formula

C₉H₁₄N₂O

SMILES

CC(CO)NCC1=CC=CC=N1

InChI

InChI=1S/C9H14N2O/c1-8(7-12)11-6-9-4-2-3-5-10-9/h2-5,8,11-12H,6-7H2,1H3

InChIKey

UNXXZZBCTYIRIR-UHFFFAOYSA-N

Compound name

2-(pyridin-2-ylmethylamino)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.11061 Da
Monoisotopic Mass: 0.0
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]+	167.11789	136.5
[M+Na]+	189.09983	142.3
[M-H]-	165.10333	137.1
[M+NH4]+	184.14443	154.6
[M+K]+	205.07377	140.3
[M+H-H2O]+	149.10787	129.7
[M+HCOO]-	211.10881	158.6
[M+CH3COO]-	225.12446	179.0
[M+Na-2H]-	187.08528	143.4
[M]+	166.11006	135.1
[M]-	166.11116	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.