CID 58629104

579515-25-6

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

CC(C1=CN=C(C=C1)OC)N

InChI

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

InChIKey

QZCQDZMQHCBXQU-UHFFFAOYSA-N

Compound name

1-(6-methoxypyridin-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
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]+	153.10224	131.7
[M+Na]+	175.08418	139.4
[M-H]-	151.08768	133.9
[M+NH4]+	170.12878	151.2
[M+K]+	191.05812	138.2
[M+H-H2O]+	135.09222	125.2
[M+HCOO]-	197.09316	155.0
[M+CH3COO]-	211.10881	179.0
[M+Na-2H]-	173.06963	137.9
[M]+	152.09441	131.2
[M]-	152.09551	131.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe