CID 55291603

2287237-38-9

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

COC[C@@H](C1=CN=CC=C1)N

InChI

InChI=1S/C8H12N2O/c1-11-6-8(9)7-3-2-4-10-5-7/h2-5,8H,6,9H2,1H3/t8-/m0/s1

InChIKey

CKAQBXVZWWQMOE-QMMMGPOBSA-N

Compound name

(1R)-2-methoxy-1-pyridin-3-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	131.6
[M+Na]+	175.08418	143.2
[M+NH4]+	170.12878	139.8
[M+K]+	191.05812	137.5
[M-H]-	151.08768	133.6
[M+Na-2H]-	173.06963	138.6
[M]+	152.09441	133.6
[M]-	152.09551	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.