CID 11401723

613678-10-7

Structural Information

Molecular Formula

C₁₂H₁₇N₃O

SMILES

CN1CCC(CC1)C(=O)C2=NC(=CC=C2)N

InChI

InChI=1S/C12H17N3O/c1-15-7-5-9(6-8-15)12(16)10-3-2-4-11(13)14-10/h2-4,9H,5-8H2,1H3,(H2,13,14)

InChIKey

YLTJVIIEHKBRPA-UHFFFAOYSA-N

Compound name

(6-aminopyridin-2-yl)-(1-methylpiperidin-4-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 168
Patents: 219.13716 Da
Monoisotopic Mass: 1.0
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]+	220.14444	151.0
[M+Na]+	242.12638	162.5
[M+NH4]+	237.17098	158.4
[M+K]+	258.10032	156.6
[M-H]-	218.12988	154.1
[M+Na-2H]-	240.11183	157.4
[M]+	219.13661	153.2
[M]-	219.13771	153.2

Literature stripe

literature stripe

Patent stripe

patents stripe