CID 81574

7149-42-0

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

CN1CCC(CC1)CN

InChI

InChI=1S/C7H16N2/c1-9-4-2-7(6-8)3-5-9/h7H,2-6,8H2,1H3

InChIKey

AGTPSAZJSOQXHJ-UHFFFAOYSA-N

Compound name

(1-methylpiperidin-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2233
Patents: 128.13135 Da
Monoisotopic Mass: 0.1
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]+	129.13863	128.5
[M+Na]+	151.12057	138.7
[M+NH4]+	146.16517	137.4
[M+K]+	167.09451	132.7
[M-H]-	127.12407	130.7
[M+Na-2H]-	149.10602	133.6
[M]+	128.13080	130.3
[M]-	128.13190	130.3

Literature stripe

literature stripe

Patent stripe

patents stripe