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

5
Patents

192.1375 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.144776 146.6
[M+Na]+ 215.126718 152.5
[M-H]- 191.130224 145.5
[M+NH4]+ 210.171323 159.5
[M+K]+ 231.100658 148.4
[M+H-H2O]+ 175.134760 136.6
[M+HCOO]- 237.135701 161.0
[M+CH3COO]- 251.151351 156.4
[M+Na-2H]- 213.112166 152.5
[M]+ 192.13695142 140.5
[M]- 192.13804858 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

patents stripe