CID 704992

3-methyl-4-oxo-3,4-dihydro-1-phthalazinecarboxylic acid

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

30
Patents

204.0535 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.060776 139.7
[M+Na]+ 227.042718 150.7
[M-H]- 203.046224 141.3
[M+NH4]+ 222.087323 156.8
[M+K]+ 243.016658 147.4
[M+H-H2O]+ 187.050760 132.7
[M+HCOO]- 249.051701 159.7
[M+CH3COO]- 263.067351 183.6
[M+Na-2H]- 225.028166 147.0
[M]+ 204.05295142 141.4
[M]- 204.05404858 141.4
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