CID 46705854

2257-67-2

Structural Information

Molecular Formula
C10H8N2O4
SMILES
C1=CC=C2C(=C1)C(=O)NN=C2OCC(=O)O
InChI
InChI=1S/C10H8N2O4/c13-8(14)5-16-10-7-4-2-1-3-6(7)9(15)11-12-10/h1-4H,5H2,(H,11,15)(H,13,14)
InChIKey
DCQWZZNKHOUDLC-UHFFFAOYSA-N
Compound name
2-[(4-oxo-3H-phthalazin-1-yl)oxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0484 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.055676 143.1
[M+Na]+ 243.037618 152.5
[M-H]- 219.041124 142.8
[M+NH4]+ 238.082223 158.4
[M+K]+ 259.011558 149.0
[M+H-H2O]+ 203.045660 135.9
[M+HCOO]- 265.046601 161.7
[M+CH3COO]- 279.062251 182.2
[M+Na-2H]- 241.023066 150.7
[M]+ 220.04785142 144.0
[M]- 220.04894858 144.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.