CID 15550593

5-methyl-2-(piperazin-1-yl)pyrimidine dihydrochloride

Structural Information

Molecular Formula

C₉H₁₄N₄

SMILES

CC1=CN=C(N=C1)N2CCNCC2

InChI

InChI=1S/C9H14N4/c1-8-6-11-9(12-7-8)13-4-2-10-3-5-13/h6-7,10H,2-5H2,1H3

InChIKey

ZXPTZVHHGCYNHT-UHFFFAOYSA-N

Compound name

5-methyl-2-piperazin-1-ylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 178.12184 Da
Monoisotopic Mass: 0.4
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]+	179.12912	141.4
[M+Na]+	201.11106	154.4
[M+NH4]+	196.15566	148.9
[M+K]+	217.08500	147.9
[M-H]-	177.11456	143.1
[M+Na-2H]-	199.09651	148.9
[M]+	178.12129	143.5
[M]-	178.12239	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe