CID 108190520

2-isopropyl-4-methylpyridin-3-amine

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

CC1=C(C(=NC=C1)C(C)C)N

InChI

InChI=1S/C9H14N2/c1-6(2)9-8(10)7(3)4-5-11-9/h4-6H,10H2,1-3H3

InChIKey

VXPOAPWLMVAUCK-UHFFFAOYSA-N

Compound name

4-methyl-2-propan-2-ylpyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 447
Patents: 150.11569 Da
Monoisotopic Mass: 1.7
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]+	151.12297	132.6
[M+Na]+	173.10491	145.2
[M+NH4]+	168.14951	141.3
[M+K]+	189.07885	139.2
[M-H]-	149.10841	135.2
[M+Na-2H]-	171.09036	139.4
[M]+	150.11514	135.1
[M]-	150.11624	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe