CID 108190520

1698293-93-4

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: 389
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]+	151.122966	132.8
[M+Na]+	173.104908	141.2
[M-H]-	149.108414	135.2
[M+NH4]+	168.149513	152.9
[M+K]+	189.078848	139.2
[M+H-H2O]+	133.112950	126.7
[M+HCOO]-	195.113891	155.6
[M+CH3COO]-	209.129541	181.2
[M+Na-2H]-	171.090356	137.8
[M]+	150.11514142	131.7
[M]-	150.11623858	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe