CID 17854247

(5-methoxypyridin-2-yl)methanamine

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

COC1=CN=C(C=C1)CN

InChI

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

InChIKey

AKYKNKLVGMYOIL-UHFFFAOYSA-N

Compound name

(5-methoxy-2-pyridinyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 101
Patents: 138.07932 Da
Monoisotopic Mass: -0.3
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	126.6
[M+Na]+	161.068538	135.0
[M-H]-	137.072044	128.8
[M+NH4]+	156.113143	146.7
[M+K]+	177.042478	133.5
[M+H-H2O]+	121.076580	120.2
[M+HCOO]-	183.077521	151.2
[M+CH3COO]-	197.093171	175.1
[M+Na-2H]-	159.053986	134.5
[M]+	138.07877142	126.3
[M]-	138.07986858	126.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe