CID 9793793

310880-25-2

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

C1=CC(=CN=C1)OCCN

InChI

InChI=1S/C7H10N2O/c8-3-5-10-7-2-1-4-9-6-7/h1-2,4,6H,3,5,8H2

InChIKey

WKMLARMIRUVDDF-UHFFFAOYSA-N

Compound name

2-pyridin-3-yloxyethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 91
Patents: 138.07932 Da
Monoisotopic Mass: 0.1
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]+	139.086596	126.5
[M+Na]+	161.068538	133.9
[M-H]-	137.072044	128.3
[M+NH4]+	156.113143	146.3
[M+K]+	177.042478	132.5
[M+H-H2O]+	121.076580	119.8
[M+HCOO]-	183.077521	151.2
[M+CH3COO]-	197.093171	174.0
[M+Na-2H]-	159.053986	135.2
[M]+	138.07877142	125.9
[M]-	138.07986858	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe