CID 774033

2-(6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)acetic acid

Structural Information

Molecular Formula
C12H10N2O3
SMILES
C1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)O
InChI
InChI=1S/C12H10N2O3/c15-11-7-6-10(9-4-2-1-3-5-9)13-14(11)8-12(16)17/h1-7H,8H2,(H,16,17)
InChIKey
LCGVBLNLPUJFQB-UHFFFAOYSA-N
Compound name
2-(6-oxo-3-phenylpyridazin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

230.06914 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07642 147.9
[M+Na]+ 253.05836 156.9
[M-H]- 229.06186 151.1
[M+NH4]+ 248.10296 162.2
[M+K]+ 269.03230 153.1
[M+H-H2O]+ 213.06640 139.4
[M+HCOO]- 275.06734 168.8
[M+CH3COO]- 289.08299 186.6
[M+Na-2H]- 251.04381 154.1
[M]+ 230.06859 148.4
[M]- 230.06969 148.4
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