CID 85237

2-amino-3,4,5,6-tetrahydropyridine

Structural Information

Molecular Formula

C₅H₁₀N₂

SMILES

C1CCN=C(C1)N

InChI

InChI=1S/C5H10N2/c6-5-3-1-2-4-7-5/h1-4H2,(H2,6,7)

InChIKey

DHGUMNJVFYRSIG-UHFFFAOYSA-N

Compound name

2,3,4,5-tetrahydropyridin-6-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 5039
Patents: 98.0844 Da
Monoisotopic Mass: -0.5
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]+	99.091676	118.2
[M+Na]+	121.07362	124.4
[M-H]-	97.077124	119.6
[M+NH4]+	116.11822	139.4
[M+K]+	137.04756	123.5
[M+H-H2O]+	81.081660	112.1
[M+HCOO]-	143.08260	140.3
[M+CH3COO]-	157.09825	166.6
[M+Na-2H]-	119.05907	125.9
[M]+	98.083851	112.5
[M]-	98.084949	112.5

Literature stripe

literature stripe

Patent stripe

patents stripe