CID 13860730

6-propylpyridin-3-amine dihydrochloride

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CCCC1=NC=C(C=C1)N

InChI

InChI=1S/C8H12N2/c1-2-3-8-5-4-7(9)6-10-8/h4-6H,2-3,9H2,1H3

InChIKey

YXTRIZABVIJARS-UHFFFAOYSA-N

Compound name

6-propylpyridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 136.10005 Da
Monoisotopic Mass: 1.4
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	128.0
[M+Na]+	159.089268	136.0
[M-H]-	135.092774	130.0
[M+NH4]+	154.133873	148.3
[M+K]+	175.063208	133.9
[M+H-H2O]+	119.097310	121.7
[M+HCOO]-	181.098251	152.1
[M+CH3COO]-	195.113901	176.2
[M+Na-2H]-	157.074716	135.5
[M]+	136.09950142	126.7
[M]-	136.10059858	126.7

Literature stripe

literature stripe

Patent stripe

patents stripe