CID 4736916

33548-32-2

Structural Information

Molecular Formula
C6H8N2O3
SMILES
CN1C(=O)CCC(=N1)C(=O)O
InChI
InChI=1S/C6H8N2O3/c1-8-5(9)3-2-4(7-8)6(10)11/h2-3H2,1H3,(H,10,11)
InChIKey
QAMPBVPSOZEYTC-UHFFFAOYSA-N
Compound name
1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

156.0535 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.06078 129.6
[M+Na]+ 179.04272 138.0
[M-H]- 155.04622 129.4
[M+NH4]+ 174.08732 147.3
[M+K]+ 195.01666 136.9
[M+H-H2O]+ 139.05076 123.2
[M+HCOO]- 201.05170 148.2
[M+CH3COO]- 215.06735 173.3
[M+Na-2H]- 177.02817 134.4
[M]+ 156.05295 127.8
[M]- 156.05405 127.8
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

patents stripe