CID 138990957

2309455-01-2

Structural Information

Molecular Formula
C8H9N3O2
SMILES
C1CNCC2=CC(=NN=C21)C(=O)O
InChI
InChI=1S/C8H9N3O2/c12-8(13)7-3-5-4-9-2-1-6(5)10-11-7/h3,9H,1-2,4H2,(H,12,13)
InChIKey
IJKBKFWIFZWRCS-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydropyrido[4,3-c]pyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.06947 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.07675 137.4
[M+Na]+ 202.05869 144.7
[M-H]- 178.06219 134.8
[M+NH4]+ 197.10329 152.7
[M+K]+ 218.03263 141.3
[M+H-H2O]+ 162.06673 129.7
[M+HCOO]- 224.06767 151.9
[M+CH3COO]- 238.08332 174.9
[M+Na-2H]- 200.04414 144.6
[M]+ 179.06892 132.7
[M]- 179.07002 132.7
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.