CID 16227379

(6-methoxypyridin-3-yl)methanamine

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

COC1=NC=C(C=C1)CN

InChI

InChI=1S/C7H10N2O/c1-10-7-3-2-6(4-8)5-9-7/h2-3,5H,4,8H2,1H3

InChIKey

AUOIYQDHPOAYQZ-UHFFFAOYSA-N

Compound name

(6-methoxypyridin-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 440
Patents: 138.07932 Da
Monoisotopic Mass: 0.0
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]+	139.08660	126.6
[M+Na]+	161.06854	139.1
[M+NH4]+	156.11314	135.1
[M+K]+	177.04248	133.0
[M-H]-	137.07204	128.8
[M+Na-2H]-	159.05399	134.0
[M]+	138.07877	128.9
[M]-	138.07987	128.9

Literature stripe

literature stripe

Patent stripe

patents stripe