CID 704992

16015-47-7

Structural Information

Molecular Formula

C₁₀H₈N₂O₃

SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O

InChI

InChI=1S/C10H8N2O3/c1-12-9(13)7-5-3-2-4-6(7)8(11-12)10(14)15/h2-5H,1H3,(H,14,15)

InChIKey

ZUEDIBGIVDXMLP-UHFFFAOYSA-N

Compound name

3-methyl-4-oxophthalazine-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 27
Patents: 204.0535 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	205.06078	140.8
[M+Na]+	227.04272	155.1
[M+NH4]+	222.08732	147.8
[M+K]+	243.01666	149.8
[M-H]-	203.04622	141.2
[M+Na-2H]-	225.02817	146.7
[M]+	204.05295	142.8
[M]-	204.05405	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe