CID 1093284

3-(1-oxo-1h-phthalazin-2-yl)-propionic acid

Structural Information

Molecular Formula
C11H10N2O3
SMILES
C1=CC=C2C(=C1)C=NN(C2=O)CCC(=O)O
InChI
InChI=1S/C11H10N2O3/c14-10(15)5-6-13-11(16)9-4-2-1-3-8(9)7-12-13/h1-4,7H,5-6H2,(H,14,15)
InChIKey
CNIZVVZEHJBRLJ-UHFFFAOYSA-N
Compound name
3-(1-oxophthalazin-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

218.06914 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07642 144.5
[M+Na]+ 241.05836 154.0
[M-H]- 217.06186 145.4
[M+NH4]+ 236.10296 160.7
[M+K]+ 257.03230 150.5
[M+H-H2O]+ 201.06640 136.9
[M+HCOO]- 263.06734 164.1
[M+CH3COO]- 277.08299 185.4
[M+Na-2H]- 239.04381 151.9
[M]+ 218.06859 146.1
[M]- 218.06969 146.1
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

No patent data available for this compound.