CID 137935

3-amino-4-methylpyridine

Structural Information

Molecular Formula

C₆H₈N₂

SMILES

CC1=C(C=NC=C1)N

InChI

InChI=1S/C6H8N2/c1-5-2-3-8-4-6(5)7/h2-4H,7H2,1H3

InChIKey

IBKMZYWDWWIWEL-UHFFFAOYSA-N

Compound name

4-methylpyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1310
Patents: 108.06875 Da
Monoisotopic Mass: 0.5
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]+	109.07603	118.8
[M+Na]+	131.05797	127.7
[M-H]-	107.06147	121.2
[M+NH4]+	126.10257	140.2
[M+K]+	147.03191	126.0
[M+H-H2O]+	91.066010	112.9
[M+HCOO]-	153.06695	143.5
[M+CH3COO]-	167.08260	170.0
[M+Na-2H]-	129.04342	127.3
[M]+	108.06820	116.8
[M]-	108.06930	116.8

Literature stripe

literature stripe

Patent stripe

patents stripe