CID 63317899

5-methyl-2-(piperidin-4-yl)pyrimidine dihydrochloride

Structural Information

Molecular Formula

C₁₀H₁₅N₃

SMILES

CC1=CN=C(N=C1)C2CCNCC2

InChI

InChI=1S/C10H15N3/c1-8-6-12-10(13-7-8)9-2-4-11-5-3-9/h6-7,9,11H,2-5H2,1H3

InChIKey

VJGVPMMVLHOADR-UHFFFAOYSA-N

Compound name

5-methyl-2-piperidin-4-ylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 177.1266 Da
Monoisotopic Mass: 0.7
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	141.4
[M+Na]+	200.115818	147.2
[M-H]-	176.119324	141.7
[M+NH4]+	195.160423	156.3
[M+K]+	216.089758	143.4
[M+H-H2O]+	160.123860	132.3
[M+HCOO]-	222.124801	157.2
[M+CH3COO]-	236.140451	152.0
[M+Na-2H]-	198.101266	147.4
[M]+	177.12605142	134.8
[M]-	177.12714858	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe