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]+ 233.09208 150.4
[M+Na]+ 255.07402 157.3
[M-H]- 231.07752 152.8
[M+NH4]+ 250.11862 164.4
[M+K]+ 271.04796 154.0
[M+H-H2O]+ 215.08206 141.8
[M+HCOO]- 277.08300 168.4
[M+CH3COO]- 291.09865 187.2
[M+Na-2H]- 253.05947 154.5
[M]+ 232.08425 148.1
[M]- 232.08535 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