CID 20982967

6-(4-methylpiperazin-1-yl)pyridazine-3-carboxylic acid

Structural Information

Molecular Formula
C10H14N4O2
SMILES
CN1CCN(CC1)C2=NN=C(C=C2)C(=O)O
InChI
InChI=1S/C10H14N4O2/c1-13-4-6-14(7-5-13)9-3-2-8(10(15)16)11-12-9/h2-3H,4-7H2,1H3,(H,15,16)
InChIKey
LXAHUBJBPCRMHQ-UHFFFAOYSA-N
Compound name
6-(4-methylpiperazin-1-yl)pyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

222.11168 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.118956 151.6
[M+Na]+ 245.100898 158.3
[M-H]- 221.104404 151.1
[M+NH4]+ 240.145503 163.3
[M+K]+ 261.074838 155.1
[M+H-H2O]+ 205.108940 141.8
[M+HCOO]- 267.109881 165.6
[M+CH3COO]- 281.125531 186.2
[M+Na-2H]- 243.086346 155.7
[M]+ 222.11113142 147.5
[M]- 222.11222858 147.5
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