CID 16769302

33548-34-4

Structural Information

Molecular Formula
C12H12N2O3
SMILES
C1CC(=O)N(N=C1C(=O)O)CC2=CC=CC=C2
InChI
InChI=1S/C12H12N2O3/c15-11-7-6-10(12(16)17)13-14(11)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,16,17)
InChIKey
XSCGWIQJFOAUDF-UHFFFAOYSA-N
Compound name
1-benzyl-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

232.0848 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.092076 150.4
[M+Na]+ 255.074018 157.3
[M-H]- 231.077524 152.8
[M+NH4]+ 250.118623 164.4
[M+K]+ 271.047958 154.0
[M+H-H2O]+ 215.082060 141.8
[M+HCOO]- 277.083001 168.4
[M+CH3COO]- 291.098651 187.2
[M+Na-2H]- 253.059466 154.5
[M]+ 232.08425142 148.1
[M]- 232.08534858 148.1
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