CID 817747

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

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CC(C)NC1=CN=CC=C1

InChI

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

InChIKey

KJSHRGNATIWUSZ-UHFFFAOYSA-N

Compound name

N-propan-2-ylpyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 211
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]+	137.10733	128.2
[M+Na]+	159.08927	135.0
[M-H]-	135.09277	130.4
[M+NH4]+	154.13387	148.3
[M+K]+	175.06321	133.6
[M+H-H2O]+	119.09731	121.6
[M+HCOO]-	181.09825	151.9
[M+CH3COO]-	195.11390	176.6
[M+Na-2H]-	157.07472	136.2
[M]+	136.09950	126.9
[M]-	136.10060	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe