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]+ 221.05568 143.1
[M+Na]+ 243.03762 152.5
[M-H]- 219.04112 142.8
[M+NH4]+ 238.08222 158.4
[M+K]+ 259.01156 149.0
[M+H-H2O]+ 203.04566 135.9
[M+HCOO]- 265.04660 161.7
[M+CH3COO]- 279.06225 182.2
[M+Na-2H]- 241.02307 150.7
[M]+ 220.04785 144.0
[M]- 220.04895 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.