CID 42628666

5-methylpiperidin-3-amine

Structural Information

Molecular Formula

C₆H₁₄N₂

SMILES

CC1CC(CNC1)N

InChI

InChI=1S/C6H14N2/c1-5-2-6(7)4-8-3-5/h5-6,8H,2-4,7H2,1H3

InChIKey

PQOHPULQDOKUOG-UHFFFAOYSA-N

Compound name

5-methylpiperidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 114.1157 Da
Monoisotopic Mass: -0.2
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]+	115.12298	125.6
[M+Na]+	137.10492	130.9
[M-H]-	113.10842	125.5
[M+NH4]+	132.14952	145.7
[M+K]+	153.07886	129.0
[M+H-H2O]+	97.112960	119.8
[M+HCOO]-	159.11390	144.4
[M+CH3COO]-	173.12955	168.5
[M+Na-2H]-	135.09037	130.4
[M]+	114.11515	117.3
[M]-	114.11625	117.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe