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

23
Patents

222.11168 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11896 151.6
[M+Na]+ 245.10090 158.3
[M-H]- 221.10440 151.1
[M+NH4]+ 240.14550 163.3
[M+K]+ 261.07484 155.1
[M+H-H2O]+ 205.10894 141.8
[M+HCOO]- 267.10988 165.6
[M+CH3COO]- 281.12553 186.2
[M+Na-2H]- 243.08635 155.7
[M]+ 222.11113 147.5
[M]- 222.11223 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