CID 1506927

33548-33-3

Structural Information

Molecular Formula
C11H10N2O3
SMILES
C1CC(=O)N(N=C1C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C11H10N2O3/c14-10-7-6-9(11(15)16)12-13(10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)
InChIKey
YVKMCSMHVJNAAM-UHFFFAOYSA-N
Compound name
6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

10
Patents

218.06914 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07642 145.8
[M+Na]+ 241.05836 153.2
[M-H]- 217.06186 148.5
[M+NH4]+ 236.10296 160.4
[M+K]+ 257.03230 150.2
[M+H-H2O]+ 201.06640 137.5
[M+HCOO]- 263.06734 164.2
[M+CH3COO]- 277.08299 184.2
[M+Na-2H]- 239.04381 150.5
[M]+ 218.06859 143.2
[M]- 218.06969 143.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe