CID 7131845

874623-61-7

Structural Information

Molecular Formula
C13H12N2O4
SMILES
C1=CC=C(C=C1)OCCN2C(=O)C=CC(=N2)C(=O)O
InChI
InChI=1S/C13H12N2O4/c16-12-7-6-11(13(17)18)14-15(12)8-9-19-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,17,18)
InChIKey
XRVPEQDXUVOXQJ-UHFFFAOYSA-N
Compound name
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

260.0797 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.08698 155.3
[M+Na]+ 283.06892 163.6
[M-H]- 259.07242 158.3
[M+NH4]+ 278.11352 168.2
[M+K]+ 299.04286 160.2
[M+H-H2O]+ 243.07696 146.2
[M+HCOO]- 305.07790 175.9
[M+CH3COO]- 319.09355 191.8
[M+Na-2H]- 281.05437 160.9
[M]+ 260.07915 157.5
[M]- 260.08025 157.5
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

No patent data available for this compound.