CID 18697966

187163-76-4

Structural Information

Molecular Formula

C₇H₁₁N₃

SMILES

CC1=CC(=CN=C1N)CN

InChI

InChI=1S/C7H11N3/c1-5-2-6(3-8)4-10-7(5)9/h2,4H,3,8H2,1H3,(H2,9,10)

InChIKey

PNCVDUNITYPRNG-UHFFFAOYSA-N

Compound name

5-(aminomethyl)-3-methylpyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 38
Patents: 137.09529 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]+	138.10257	128.0
[M+Na]+	160.08451	136.6
[M-H]-	136.08801	130.0
[M+NH4]+	155.12911	147.9
[M+K]+	176.05845	134.2
[M+H-H2O]+	120.09255	121.6
[M+HCOO]-	182.09349	152.7
[M+CH3COO]-	196.10914	178.6
[M+Na-2H]-	158.06996	134.4
[M]+	137.09474	125.0
[M]-	137.09584	125.0

Literature stripe

literature stripe

Patent stripe

patents stripe