CID 75108

2168-13-0

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

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

InChI

InChI=1S/C8H12N2O/c1-10(2)6-7-8(11)4-3-5-9-7/h3-5,11H,6H2,1-2H3

InChIKey

NUMYETXZBQVFDX-UHFFFAOYSA-N

Compound name

2-[(dimethylamino)methyl]pyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 223
Patents: 152.09496 Da
Monoisotopic Mass: 0.4
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]+	153.102236	131.2
[M+Na]+	175.084178	138.8
[M-H]-	151.087684	133.8
[M+NH4]+	170.128783	150.9
[M+K]+	191.058118	138.0
[M+H-H2O]+	135.092220	124.6
[M+HCOO]-	197.093161	155.1
[M+CH3COO]-	211.108811	179.7
[M+Na-2H]-	173.069626	138.4
[M]+	152.09441142	131.7
[M]-	152.09550858	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe