CID 17962422

3-(propan-2-yl)pyridin-2-amine

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

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

InChI

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

InChIKey

GHZOLPYPAQAMKG-UHFFFAOYSA-N

Compound name

3-propan-2-ylpyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 158
Patents: 136.10005 Da
Monoisotopic Mass: 1.6
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]+	137.107326	128.5
[M+Na]+	159.089268	136.3
[M-H]-	135.092774	130.7
[M+NH4]+	154.133873	148.7
[M+K]+	175.063208	134.6
[M+H-H2O]+	119.097310	122.2
[M+HCOO]-	181.098251	151.6
[M+CH3COO]-	195.113901	177.0
[M+Na-2H]-	157.074716	134.7
[M]+	136.09950142	126.6
[M]-	136.10059858	126.6

Literature stripe

literature stripe

Patent stripe

patents stripe