CID 819380

2-(4-methyl-1-oxo-1,2-dihydrophthalazin-2-yl)acetic acid

Structural Information

Molecular Formula
C11H10N2O3
SMILES
CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)O
InChI
InChI=1S/C11H10N2O3/c1-7-8-4-2-3-5-9(8)11(16)13(12-7)6-10(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKey
SAVCCTSOVBCYPG-UHFFFAOYSA-N
Compound name
2-(4-methyl-1-oxophthalazin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

5
Patents

218.06914 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07642 144.4
[M+Na]+ 241.05836 154.9
[M-H]- 217.06186 145.7
[M+NH4]+ 236.10296 160.9
[M+K]+ 257.03230 151.4
[M+H-H2O]+ 201.06640 137.2
[M+HCOO]- 263.06734 164.0
[M+CH3COO]- 277.08299 186.6
[M+Na-2H]- 239.04381 151.1
[M]+ 218.06859 146.5
[M]- 218.06969 146.5
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