CID 2784470

68254-08-0

Structural Information

Molecular Formula
C12H10N2O3
SMILES
CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C12H10N2O3/c1-8-7-10(15)11(12(16)17)13-14(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,16,17)
InChIKey
IYLQQYCKWAAZLD-UHFFFAOYSA-N
Compound name
6-methyl-4-oxo-1-phenylpyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

23
Patents

230.06914 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07642 147.7
[M+Na]+ 253.05836 157.7
[M-H]- 229.06186 151.4
[M+NH4]+ 248.10296 162.4
[M+K]+ 269.03230 153.9
[M+H-H2O]+ 213.06640 139.5
[M+HCOO]- 275.06734 168.6
[M+CH3COO]- 289.08299 187.8
[M+Na-2H]- 251.04381 153.2
[M]+ 230.06859 148.7
[M]- 230.06969 148.7
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