CID 252255

2168-14-1

Structural Information

Molecular Formula

C₁₀H₁₆N₂O

SMILES

CCN(CC)CC1=C(C=CC=N1)O

InChI

InChI=1S/C10H16N2O/c1-3-12(4-2)8-9-10(13)6-5-7-11-9/h5-7,13H,3-4,8H2,1-2H3

InChIKey

HYVKRYYPFVVIMN-UHFFFAOYSA-N

Compound name

2-(diethylaminomethyl)pyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 180.12627 Da
Monoisotopic Mass: 1.1
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]+	181.13355	140.5
[M+Na]+	203.11549	147.3
[M-H]-	179.11899	142.7
[M+NH4]+	198.16009	159.1
[M+K]+	219.08943	145.9
[M+H-H2O]+	163.12353	133.5
[M+HCOO]-	225.12447	163.7
[M+CH3COO]-	239.14012	185.8
[M+Na-2H]-	201.10094	146.6
[M]+	180.12572	141.7
[M]-	180.12682	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe