CID 45079645

2416235-00-0

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CC(C)C1=NC=CC(=C1)N

InChI

InChI=1S/C8H12N2/c1-6(2)8-5-7(9)3-4-10-8/h3-6H,1-2H3,(H2,9,10)

InChIKey

DMMLYMQQBZGHLO-UHFFFAOYSA-N

Compound name

2-propan-2-ylpyridin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 136.10005 Da
Monoisotopic Mass: 1.3
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]+	137.10733	128.2
[M+Na]+	159.08927	140.7
[M+NH4]+	154.13387	137.1
[M+K]+	175.06321	134.7
[M-H]-	135.09277	130.8
[M+Na-2H]-	157.07472	135.5
[M]+	136.09950	130.6
[M]-	136.10060	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe