CID 62548256

1-(3-methyl-1h-pyrazol-5-yl)piperazine dihydrochloride

Structural Information

Molecular Formula

C₈H₁₄N₄

SMILES

CC1=CC(=NN1)N2CCNCC2

InChI

InChI=1S/C8H14N4/c1-7-6-8(11-10-7)12-4-2-9-3-5-12/h6,9H,2-5H2,1H3,(H,10,11)

InChIKey

MEWCPBOFWYJTNM-UHFFFAOYSA-N

Compound name

1-(5-methyl-1H-pyrazol-3-yl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 166.12184 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]+	167.12912	138.5
[M+Na]+	189.11106	149.1
[M+NH4]+	184.15566	145.5
[M+K]+	205.08500	145.5
[M-H]-	165.11456	138.7
[M+Na-2H]-	187.09651	143.7
[M]+	166.12129	139.7
[M]-	166.12239	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe