CID 167718168

3-{[(2s)-2-methylpiperazin-1-yl]methyl}pyridazine trihydrochloride

Structural Information

Molecular Formula
C10H16N4
SMILES
C[C@H]1CNCCN1CC2=NN=CC=C2
InChI
InChI=1S/C10H16N4/c1-9-7-11-5-6-14(9)8-10-3-2-4-12-13-10/h2-4,9,11H,5-8H2,1H3/t9-/m0/s1
InChIKey
WZVBRSOPHVMUEQ-VIFPVBQESA-N
Compound name
3-[[(2S)-2-methylpiperazin-1-yl]methyl]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.1375 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.14478 146.6
[M+Na]+ 215.12672 152.5
[M-H]- 191.13022 145.5
[M+NH4]+ 210.17132 159.5
[M+K]+ 231.10066 148.4
[M+H-H2O]+ 175.13476 136.6
[M+HCOO]- 237.13570 161.0
[M+CH3COO]- 251.15135 156.4
[M+Na-2H]- 213.11217 152.5
[M]+ 192.13695 140.5
[M]- 192.13805 140.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.