CID 24208822

902837-09-6

Structural Information

Molecular Formula

C₁₁H₁₇N₃

SMILES

CC1=C(N=CC=C1)N2CCC(CC2)N

InChI

InChI=1S/C11H17N3/c1-9-3-2-6-13-11(9)14-7-4-10(12)5-8-14/h2-3,6,10H,4-5,7-8,12H2,1H3

InChIKey

MEDSFHSPUSUMIL-UHFFFAOYSA-N

Compound name

1-(3-methylpyridin-2-yl)piperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 191.14224 Da
Monoisotopic Mass: 1.3
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]+	192.14952	144.7
[M+Na]+	214.13146	150.6
[M-H]-	190.13496	147.6
[M+NH4]+	209.17606	160.9
[M+K]+	230.10540	147.2
[M+H-H2O]+	174.13950	136.0
[M+HCOO]-	236.14044	163.5
[M+CH3COO]-	250.15609	185.8
[M+Na-2H]-	212.11691	149.3
[M]+	191.14169	138.5
[M]-	191.14279	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe