CID 72212080

[(5-methoxypyridin-2-yl)methyl](methyl)amine dihydrochloride

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

CNCC1=NC=C(C=C1)OC

InChI

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

InChIKey

OBZUNPXMJPOKEY-UHFFFAOYSA-N

Compound name

1-(5-methoxypyridin-2-yl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 152.09496 Da
Monoisotopic Mass: 0.2
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]+	153.10224	130.7
[M+Na]+	175.08418	138.6
[M-H]-	151.08768	133.2
[M+NH4]+	170.12878	150.5
[M+K]+	191.05812	137.3
[M+H-H2O]+	135.09222	124.0
[M+HCOO]-	197.09316	155.6
[M+CH3COO]-	211.10881	178.9
[M+Na-2H]-	173.06963	139.2
[M]+	152.09441	131.8
[M]-	152.09551	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe