CID 17860

Modaline

Structural Information

Molecular Formula

C₁₀H₁₅N₃

SMILES

CC1=NC=CN=C1N2CCCCC2

InChI

InChI=1S/C10H15N3/c1-9-10(12-6-5-11-9)13-7-3-2-4-8-13/h5-6H,2-4,7-8H2,1H3

InChIKey

BJHCGMHPEKLROM-UHFFFAOYSA-N

Compound name

2-methyl-3-piperidin-1-ylpyrazine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 405
Patents: 177.1266 Da
Monoisotopic Mass: 1.5
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]+	178.133876	140.7
[M+Na]+	200.115818	147.0
[M-H]-	176.119324	142.4
[M+NH4]+	195.160423	156.4
[M+K]+	216.089758	144.1
[M+H-H2O]+	160.123860	131.3
[M+HCOO]-	222.124801	158.0
[M+CH3COO]-	236.140451	152.0
[M+Na-2H]-	198.101266	147.2
[M]+	177.12605142	135.9
[M]-	177.12714858	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe