CID 60790841

Methyl 6-(piperazin-1-yl)pyridazine-3-carboxylate dihydrochloride

Structural Information

Molecular Formula
C10H14N4O2
SMILES
COC(=O)C1=NN=C(C=C1)N2CCNCC2
InChI
InChI=1S/C10H14N4O2/c1-16-10(15)8-2-3-9(13-12-8)14-6-4-11-5-7-14/h2-3,11H,4-7H2,1H3
InChIKey
NWNDCFSZFRUHCD-UHFFFAOYSA-N
Compound name
methyl 6-piperazin-1-ylpyridazine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.11168 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.118956 151.5
[M+Na]+ 245.100898 157.2
[M-H]- 221.104404 150.5
[M+NH4]+ 240.145503 162.9
[M+K]+ 261.074838 154.1
[M+H-H2O]+ 205.108940 141.4
[M+HCOO]- 267.109881 165.5
[M+CH3COO]- 281.125531 184.3
[M+Na-2H]- 243.086346 156.2
[M]+ 222.11113142 146.8
[M]- 222.11222858 146.8
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.