CID 74811

1990-90-5

Structural Information

Molecular Formula

C₆H₈N₂

SMILES

CC1=C(C=CN=C1)N

InChI

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

InChIKey

VGJLGPCXUGIXRQ-UHFFFAOYSA-N

Compound name

3-methylpyridin-4-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 882
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]+	109.076026	118.8
[M+Na]+	131.057968	127.7
[M-H]-	107.061474	121.2
[M+NH4]+	126.102573	140.2
[M+K]+	147.031908	126.0
[M+H-H2O]+	91.066010	112.9
[M+HCOO]-	153.066951	143.5
[M+CH3COO]-	167.082601	170.0
[M+Na-2H]-	129.043416	127.3
[M]+	108.06820142	116.8
[M]-	108.06929858	116.8

Literature stripe

literature stripe

Patent stripe

patents stripe