CID 931527

4572-80-9

Structural Information

Molecular Formula
C11H10N2O4
SMILES
C1=CC=C2C(=C1)C(=O)NN(C2=O)CCC(=O)O
InChI
InChI=1S/C11H10N2O4/c14-9(15)5-6-13-11(17)8-4-2-1-3-7(8)10(16)12-13/h1-4H,5-6H2,(H,12,16)(H,14,15)
InChIKey
QAUAVUXZOYSZHE-UHFFFAOYSA-N
Compound name
3-(1,4-dioxo-3H-phthalazin-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

4
Patents

234.06406 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07134 147.0
[M+Na]+ 257.05328 157.1
[M-H]- 233.05678 146.9
[M+NH4]+ 252.09788 162.0
[M+K]+ 273.02722 152.8
[M+H-H2O]+ 217.06132 139.9
[M+HCOO]- 279.06226 165.4
[M+CH3COO]- 293.07791 185.7
[M+Na-2H]- 255.03873 153.3
[M]+ 234.06351 147.9
[M]- 234.06461 147.9
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