CID 3477051

1-(1-methyl-1h-1,2,3,4-tetrazol-5-yl)piperazine dihydrochloride

Structural Information

Molecular Formula

C₆H₁₂N₆

SMILES

CN1C(=NN=N1)N2CCNCC2

InChI

InChI=1S/C6H12N6/c1-11-6(8-9-10-11)12-4-2-7-3-5-12/h7H,2-5H2,1H3

InChIKey

SQJDMBCPQVISRB-UHFFFAOYSA-N

Compound name

1-(1-methyltetrazol-5-yl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 168.11235 Da
Monoisotopic Mass: -0.6
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]+	169.11963	139.9
[M+Na]+	191.10157	147.5
[M-H]-	167.10507	136.8
[M+NH4]+	186.14617	152.8
[M+K]+	207.07551	144.5
[M+H-H2O]+	151.10961	129.2
[M+HCOO]-	213.11055	153.6
[M+CH3COO]-	227.12620	150.0
[M+Na-2H]-	189.08702	144.4
[M]+	168.11180	134.3
[M]-	168.11290	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe